%%Author: Chien-Ting Tung, PhD at University of California, Berkeley clear all close all %MoS2 %a==S %c==Mo a0=3.179e-10; %%% b0=3.135e-10; %%% Esa=17.9023; Epa=-2.4009; Eda=75.2885; Esc=9.9447; Epc=36.6985; Edc=4.1225; delta_a=0.05388; delta_c=0.9235; Vsasa_s=-0.8590; Vsapa_s=-0.2142; Vpapa_s=0.8715; Vpapa_p=-0.2449; Vsada_s=3.1818; Vpada_s=0.1138; Vpada_p=-0.4476; Vdada_s=3.7203; Vdada_p=-2.5901; Vdada_d=-1.1719; Vscsc_s=-1.5166; Vscpc_s=0.4991; Vpcpc_s=-3.8198; Vpcpc_p=4.5562; Vscdc_s=0.007971; Vpcdc_s=1.3306; Vpcdc_p=-0.4728; %%%% Vdcdc_s=0.95906; Vdcdc_p=-0.452; Vdcdc_d=0.5143; Vsasc_s=-0.1246; Vsapc_s=3.9553; Vpapc_s=1.2385; Vpapc_p=-0.2589; Vsadc_s=1.6798; Vpadc_s=-2.8710; Vpadc_p=0.8901; Vdadc_s=4.8937; Vdadc_p=-9.3391; Vdadc_d=1.2478; Vscpa_s=1.1862; Vscda_s=10.4024; Vpcda_s=16.3744; Vpcda_p=-16.6761; dk=0.001/a0; K=[-2/3,-2*sqrt(3)/3]*pi/a0; M=[0,-2*sqrt(3)/3]*pi/a0; n1=ceil(norm(M)/dk)*0+100; n2=ceil(norm(K-M)/dk)*0+100; n3=ceil(norm(K)/dk)*0+100; kx=[linspace(0,M(1),n1),linspace(M(1),K(1),n2),linspace(K(1),0,n3)]; ky=[linspace(0,M(2),n1),linspace(M(2),K(2),n2),linspace(K(2),0,n3)]; knumber=n1+n2+n3; for i=1:knumber kk=[kx(i),ky(i),0]; % S_t - S_t and S_b - S_b r1=a0*[1,0,0]; r2=a0*[-1,0,0]; r3=a0*[1/2,sqrt(3)/2,0]; r4=a0*[-1/2,-sqrt(3)/2,0]; r5=a0*[-1/2,sqrt(3)/2,0]; r6=a0*[1/2,-sqrt(3)/2,0]; d1=r1/norm(r1); d2=r2/norm(r2); d3=r3/norm(r3); d4=r4/norm(r4); d5=r5/norm(r5); d6=r6/norm(r6); f1=exp(1i*dot(r1,kk)); f2=exp(1i*dot(r2,kk)); f3=exp(1i*dot(r3,kk)); f4=exp(1i*dot(r4,kk)); f5=exp(1i*dot(r5,kk)); f6=exp(1i*dot(r6,kk)); SS=zeros(9,9); for w=1 SS(1,1)=f1+f2+f3+f4+f5+f6; SS(1,1)=Esa+SS(1,1)*Vsasa_s; SS(1,2)=s_x(d1)*f1+s_x(d2)*f2+s_x(d3)*f3+s_x(d4)*f4+s_x(d5)*f5+s_x(d6)*f6; SS(1,2)=SS(1,2)*Vsapa_s; SS(1,3)=s_y(d1)*f1+s_y(d2)*f2+s_y(d3)*f3+s_y(d4)*f4+s_y(d5)*f5+s_y(d6)*f6; SS(1,3)=SS(1,3)*Vsapa_s; SS(1,4)=s_z(d1)*f1+s_z(d2)*f2+s_z(d3)*f3+s_z(d4)*f4+s_z(d5)*f5+s_z(d6)*f6; SS(1,4)=SS(1,4)*Vsapa_s; SS(1,5)=s_xy(d1)*f1+s_xy(d2)*f2+s_xy(d3)*f3+s_xy(d4)*f4+s_xy(d5)*f5+s_xy(d6)*f6; SS(1,5)=SS(1,5)*Vsada_s; SS(1,6)=s_yz(d1)*f1+s_yz(d2)*f2+s_yz(d3)*f3+s_yz(d4)*f4+s_yz(d5)*f5+s_yz(d6)*f6; SS(1,6)=SS(1,6)*Vsada_s; SS(1,7)=s_xz(d1)*f1+s_xz(d2)*f2+s_xz(d3)*f3+s_xz(d4)*f4+s_xz(d5)*f5+s_xz(d6)*f6; SS(1,7)=SS(1,7)*Vsada_s; SS(1,8)=s_x2y2(d1)*f1+s_x2y2(d2)*f2+s_x2y2(d3)*f3+s_x2y2(d4)*f4+s_x2y2(d5)*f5+s_x2y2(d6)*f6; SS(1,8)=SS(1,8)*Vsada_s; SS(1,9)=s_3z2r2(d1)*f1+s_3z2r2(d2)*f2+s_3z2r2(d3)*f3+s_3z2r2(d4)*f4+s_3z2r2(d5)*f5+s_3z2r2(d6)*f6; SS(1,9)=SS(1,9)*Vsada_s; p1=s_x(-d1)*f1+s_x(-d2)*f2+s_x(-d3)*f3+s_x(-d4)*f4+s_x(-d5)*f5+s_x(-d6)*f6; p1=p1*Vsapa_s; SS(2,1)=p1; p1=x_x_s(d1)*f1+x_x_s(d2)*f2+x_x_s(d3)*f3+x_x_s(d4)*f4+x_x_s(d5)*f5+x_x_s(d6)*f6; p1=p1*Vpapa_s; p2=x_x_p(d1)*f1+x_x_p(d2)*f2+x_x_p(d3)*f3+x_x_p(d4)*f4+x_x_p(d5)*f5+x_x_p(d6)*f6; p2=p2*Vpapa_p; SS(2,2)=p1+p2+Epa; p1=x_y_s(d1)*f1+x_y_s(d2)*f2+x_y_s(d3)*f3+x_y_s(d4)*f4+x_y_s(d5)*f5+x_y_s(d6)*f6; p1=p1*Vpapa_s; p2=x_y_p(d1)*f1+x_y_p(d2)*f2+x_y_p(d3)*f3+x_y_p(d4)*f4+x_y_p(d5)*f5+x_y_p(d6)*f6; p2=p2*Vpapa_p; SS(2,3)=p1+p2; p1=x_z_s(d1)*f1+x_z_s(d2)*f2+x_z_s(d3)*f3+x_z_s(d4)*f4+x_z_s(d5)*f5+x_z_s(d6)*f6; p1=p1*Vpapa_s; p2=x_z_p(d1)*f1+x_z_p(d2)*f2+x_z_p(d3)*f3+x_z_p(d4)*f4+x_z_p(d5)*f5+x_z_p(d6)*f6; p2=p2*Vpapa_p; SS(2,4)=p1+p2; q1=x_xy_s(d1)*f1+x_xy_s(d2)*f2+x_xy_s(d3)*f3+x_xy_s(d4)*f4+x_xy_s(d5)*f5+x_xy_s(d6)*f6; q1=q1*Vpada_s; q2=x_xy_p(d1)*f1+x_xy_p(d2)*f2+x_xy_p(d3)*f3+x_xy_p(d4)*f4+x_xy_p(d5)*f5+x_xy_p(d6)*f6; q2=q2*Vpada_p; SS(2,5)=q1+q2; q1=x_yz_s(d1)*f1+x_yz_s(d2)*f2+x_yz_s(d3)*f3+x_yz_s(d4)*f4+x_yz_s(d5)*f5+x_yz_s(d6)*f6; q1=q1*Vpada_s; q2=x_yz_p(d1)*f1+x_yz_p(d2)*f2+x_yz_p(d3)*f3+x_yz_p(d4)*f4+x_yz_p(d5)*f5+x_yz_p(d6)*f6; q2=q2*Vpada_p; SS(2,6)=q1+q2; q1=x_xz_s(d1)*f1+x_xz_s(d2)*f2+x_xz_s(d3)*f3+x_xz_s(d4)*f4+x_xz_s(d5)*f5+x_xz_s(d6)*f6; q1=q1*Vpada_s; q2=x_xz_p(d1)*f1+x_xz_p(d2)*f2+x_xz_p(d3)*f3+x_xz_p(d4)*f4+x_xz_p(d5)*f5+x_xz_p(d6)*f6; q2=q2*Vpada_p; SS(2,7)=q1+q2; q1=x_x2y2_s(d1)*f1+x_x2y2_s(d2)*f2+x_x2y2_s(d3)*f3+x_x2y2_s(d4)*f4+x_x2y2_s(d5)*f5+x_x2y2_s(d6)*f6; q1=q1*Vpada_s; q2=x_x2y2_p(d1)*f1+x_x2y2_p(d2)*f2+x_x2y2_p(d3)*f3+x_x2y2_p(d4)*f4+x_x2y2_p(d5)*f5+x_x2y2_p(d6)*f6; q2=q2*Vpada_p; SS(2,8)=q1+q2; q1=x_3z2r2_s(d1)*f1+x_3z2r2_s(d2)*f2+x_3z2r2_s(d3)*f3+x_3z2r2_s(d4)*f4+x_3z2r2_s(d5)*f5+x_3z2r2_s(d6)*f6; q1=q1*Vpada_s; q2=x_3z2r2_p(d1)*f1+x_3z2r2_p(d2)*f2+x_3z2r2_p(d3)*f3+x_3z2r2_p(d4)*f4+x_3z2r2_p(d5)*f5+x_3z2r2_p(d6)*f6; q2=q2*Vpada_p; SS(2,9)=q1+q2; p1=s_y(-d1)*f1+s_y(-d2)*f2+s_y(-d3)*f3+s_y(-d4)*f4+s_y(-d5)*f5+s_y(-d6)*f6; p1=p1*Vsapa_s; SS(3,1)=p1; p1=x_y_s(-d1)*f1+x_y_s(-d2)*f2+x_y_s(-d3)*f3+x_y_s(-d4)*f4+x_y_s(-d5)*f5+x_y_s(-d6)*f6; p1=p1*Vpapa_s; p2=x_y_p(-d1)*f1+x_y_p(-d2)*f2+x_y_p(-d3)*f3+x_y_p(-d4)*f4+x_y_p(-d5)*f5+x_y_p(-d6)*f6; p2=p2*Vpapa_p; SS(3,2)=p1+p2; p1=y_y_s(d1)*f1+y_y_s(d2)*f2+y_y_s(d3)*f3+y_y_s(d4)*f4+y_y_s(d5)*f5+y_y_s(d6)*f6; p1=p1*Vpapa_s; p2=y_y_p(d1)*f1+y_y_p(d2)*f2+y_y_p(d3)*f3+y_y_p(d4)*f4+y_y_p(d5)*f5+y_y_p(d6)*f6; p2=p2*Vpapa_p; SS(3,3)=p1+p2+Epa; p1=y_z_s(d1)*f1+y_z_s(d2)*f2+y_z_s(d3)*f3+y_z_s(d4)*f4+y_z_s(d5)*f5+y_z_s(d6)*f6; p1=p1*Vpapa_s; p2=y_z_p(d1)*f1+y_z_p(d2)*f2+y_z_p(d3)*f3+y_z_p(d4)*f4+y_z_p(d5)*f5+y_z_p(d6)*f6; p2=p2*Vpapa_p; SS(3,4)=p1+p2; q1=y_xy_s(d1)*f1+y_xy_s(d2)*f2+y_xy_s(d3)*f3+y_xy_s(d4)*f4+y_xy_s(d5)*f5+y_xy_s(d6)*f6; q1=q1*Vpada_s; q2=y_xy_p(d1)*f1+y_xy_p(d2)*f2+y_xy_p(d3)*f3+y_xy_p(d4)*f4+y_xy_p(d5)*f5+y_xy_p(d6)*f6; q2=q2*Vpada_p; SS(3,5)=q1+q2; q1=y_yz_s(d1)*f1+y_yz_s(d2)*f2+y_yz_s(d3)*f3+y_yz_s(d4)*f4+y_yz_s(d5)*f5+y_yz_s(d6)*f6; q1=q1*Vpada_s; q2=y_yz_p(d1)*f1+y_yz_p(d2)*f2+y_yz_p(d3)*f3+y_yz_p(d4)*f4+y_yz_p(d5)*f5+y_yz_p(d6)*f6; q2=q2*Vpada_p; SS(3,6)=q1+q2; q1=y_xz_s(d1)*f1+y_xz_s(d2)*f2+y_xz_s(d3)*f3+y_xz_s(d4)*f4+y_xz_s(d5)*f5+y_xz_s(d6)*f6; q1=q1*Vpada_s; q2=y_xz_p(d1)*f1+y_xz_p(d2)*f2+y_xz_p(d3)*f3+y_xz_p(d4)*f4+y_xz_p(d5)*f5+y_xz_p(d6)*f6; q2=q2*Vpada_p; SS(3,7)=q1+q2; q1=y_x2y2_s(d1)*f1+y_x2y2_s(d2)*f2+y_x2y2_s(d3)*f3+y_x2y2_s(d4)*f4+y_x2y2_s(d5)*f5+y_x2y2_s(d6)*f6; q1=q1*Vpada_s; q2=y_x2y2_p(d1)*f1+y_x2y2_p(d2)*f2+y_x2y2_p(d3)*f3+y_x2y2_p(d4)*f4+y_x2y2_p(d5)*f5+y_x2y2_p(d6)*f6; q2=q2*Vpada_p; SS(3,8)=q1+q2; q1=y_3z2r2_s(d1)*f1+y_3z2r2_s(d2)*f2+y_3z2r2_s(d3)*f3+y_3z2r2_s(d4)*f4+y_3z2r2_s(d5)*f5+y_3z2r2_s(d6)*f6; q1=q1*Vpada_s; q2=y_3z2r2_p(d1)*f1+y_3z2r2_p(d2)*f2+y_3z2r2_p(d3)*f3+y_3z2r2_p(d4)*f4+y_3z2r2_p(d5)*f5+y_3z2r2_p(d6)*f6; q2=q2*Vpada_p; SS(3,9)=q1+q2; p1=s_z(-d1)*f1+s_z(-d2)*f2+s_z(-d3)*f3+s_z(-d4)*f4+s_z(-d5)*f5+s_z(-d6)*f6; p1=p1*Vsapa_s; SS(4,1)=p1; p1=x_z_s(-d1)*f1+x_z_s(-d2)*f2+x_z_s(-d3)*f3+x_z_s(-d4)*f4+x_z_s(-d5)*f5+x_z_s(-d6)*f6; p1=p1*Vpapa_s; p2=x_z_p(-d1)*f1+x_z_p(-d2)*f2+x_z_p(-d3)*f3+x_z_p(-d4)*f4+x_z_p(-d5)*f5+x_z_p(-d6)*f6; p2=p2*Vpapa_p; SS(4,2)=p1+p2; p1=y_z_s(-d1)*f1+y_z_s(-d2)*f2+y_z_s(-d3)*f3+y_z_s(-d4)*f4+y_z_s(-d5)*f5+y_z_s(-d6)*f6; p1=p1*Vpapa_s; p2=y_z_p(-d1)*f1+y_z_p(-d2)*f2+y_z_p(-d3)*f3+y_z_p(-d4)*f4+y_z_p(-d5)*f5+y_z_p(-d6)*f6; p2=p2*Vpapa_p; SS(4,3)=p1+p2; p1=z_z_s(d1)*f1+z_z_s(d2)*f2+z_z_s(d3)*f3+z_z_s(d4)*f4+z_z_s(d5)*f5+z_z_s(d6)*f6; p1=p1*Vpapa_s; p2=z_z_p(d1)*f1+z_z_p(d2)*f2+z_z_p(d3)*f3+z_z_p(d4)*f4+z_z_p(d5)*f5+z_z_p(d6)*f6; p2=p2*Vpapa_p; SS(4,4)=p1+p2+Epa; q1=z_xy_s(d1)*f1+z_xy_s(d2)*f2+z_xy_s(d3)*f3+z_xy_s(d4)*f4+z_xy_s(d5)*f5+z_xy_s(d6)*f6; q1=q1*Vpada_s; q2=z_xy_p(d1)*f1+z_xy_p(d2)*f2+z_xy_p(d3)*f3+z_xy_p(d4)*f4+z_xy_p(d5)*f5+z_xy_p(d6)*f6; q2=q2*Vpada_p; SS(4,5)=q1+q2; q1=z_yz_s(d1)*f1+z_yz_s(d2)*f2+z_yz_s(d3)*f3+z_yz_s(d4)*f4+z_yz_s(d5)*f5+z_yz_s(d6)*f6; q1=q1*Vpada_s; q2=z_yz_p(d1)*f1+z_yz_p(d2)*f2+z_yz_p(d3)*f3+z_yz_p(d4)*f4+z_yz_p(d5)*f5+z_yz_p(d6)*f6; q2=q2*Vpada_p; SS(4,6)=q1+q2; q1=z_xz_s(d1)*f1+z_xz_s(d2)*f2+z_xz_s(d3)*f3+z_xz_s(d4)*f4+z_xz_s(d5)*f5+z_xz_s(d6)*f6; q1=q1*Vpada_s; q2=z_xz_p(d1)*f1+z_xz_p(d2)*f2+z_xz_p(d3)*f3+z_xz_p(d4)*f4+z_xz_p(d5)*f5+z_xz_p(d6)*f6; q2=q2*Vpada_p; SS(4,7)=q1+q2; q1=z_x2y2_s(d1)*f1+z_x2y2_s(d2)*f2+z_x2y2_s(d3)*f3+z_x2y2_s(d4)*f4+z_x2y2_s(d5)*f5+z_x2y2_s(d6)*f6; q1=q1*Vpada_s; q2=z_x2y2_p(d1)*f1+z_x2y2_p(d2)*f2+z_x2y2_p(d3)*f3+z_x2y2_p(d4)*f4+z_x2y2_p(d5)*f5+z_x2y2_p(d6)*f6; q2=q2*Vpada_p; SS(4,8)=q1+q2; q1=z_3z2r2_s(d1)*f1+z_3z2r2_s(d2)*f2+z_3z2r2_s(d3)*f3+z_3z2r2_s(d4)*f4+z_3z2r2_s(d5)*f5+z_3z2r2_s(d6)*f6; q1=q1*Vpada_s; q2=z_3z2r2_p(d1)*f1+z_3z2r2_p(d2)*f2+z_3z2r2_p(d3)*f3+z_3z2r2_p(d4)*f4+z_3z2r2_p(d5)*f5+z_3z2r2_p(d6)*f6; q2=q2*Vpada_p; SS(4,9)=q1+q2; q1=s_xy(-d1)*f1+s_xy(-d2)*f2+s_xy(-d3)*f3+s_xy(-d4)*f4+s_xy(-d5)*f5+s_xy(-d6)*f6; q1=q1*Vsada_s; SS(5,1)=q1; q1=x_xy_s(-d1)*f1+x_xy_s(-d2)*f2+x_xy_s(-d3)*f3+x_xy_s(-d4)*f4+x_xy_s(-d5)*f5+x_xy_s(-d6)*f6; q1=q1*Vpada_s; q2=x_xy_p(-d1)*f1+x_xy_p(-d2)*f2+x_xy_p(-d3)*f3+x_xy_p(-d4)*f4+x_xy_p(-d5)*f5+x_xy_p(-d6)*f6; q2=q2*Vpada_p; SS(5,2)=q1+q2; q1=y_xy_s(-d1)*f1+y_xy_s(-d2)*f2+y_xy_s(-d3)*f3+y_xy_s(-d4)*f4+y_xy_s(-d5)*f5+y_xy_s(-d6)*f6; q1=q1*Vpada_s; q2=y_xy_p(-d1)*f1+y_xy_p(-d2)*f2+y_xy_p(-d3)*f3+y_xy_p(-d4)*f4+y_xy_p(-d5)*f5+y_xy_p(-d6)*f6; q2=q2*Vpada_p; SS(5,3)=q1+q2; q1=z_xy_s(-d1)*f1+z_xy_s(-d2)*f2+z_xy_s(-d3)*f3+z_xy_s(-d4)*f4+z_xy_s(-d5)*f5+z_xy_s(-d6)*f6; q1=q1*Vpada_s; q2=z_xy_p(-d1)*f1+z_xy_p(-d2)*f2+z_xy_p(-d3)*f3+z_xy_p(-d4)*f4+z_xy_p(-d5)*f5+z_xy_p(-d6)*f6; q2=q2*Vpada_p; SS(5,4)=q1+q2; q1=xy_xy_s(d1)*f1+xy_xy_s(d2)*f2+xy_xy_s(d3)*f3+xy_xy_s(d4)*f4+xy_xy_s(d5)*f5+xy_xy_s(d6)*f6; q1=q1*Vdada_s; q2=xy_xy_p(d1)*f1+xy_xy_p(d2)*f2+xy_xy_p(d3)*f3+xy_xy_p(d4)*f4+xy_xy_p(d5)*f5+xy_xy_p(d6)*f6; q2=q2*Vdada_p; q3=xy_xy_d(d1)*f1+xy_xy_d(d2)*f2+xy_xy_d(d3)*f3+xy_xy_d(d4)*f4+xy_xy_d(d5)*f5+xy_xy_d(d6)*f6; q3=q3*Vdada_d; SS(5,5)=q1+q2+q3+Eda; q1=xy_yz_s(d1)*f1+xy_yz_s(d2)*f2+xy_yz_s(d3)*f3+xy_yz_s(d4)*f4+xy_yz_s(d5)*f5+xy_yz_s(d6)*f6; q1=q1*Vdada_s; q2=xy_yz_p(d1)*f1+xy_yz_p(d2)*f2+xy_yz_p(d3)*f3+xy_yz_p(d4)*f4+xy_yz_p(d5)*f5+xy_yz_p(d6)*f6; q2=q2*Vdada_p; q3=xy_yz_d(d1)*f1+xy_yz_d(d2)*f2+xy_yz_d(d3)*f3+xy_yz_d(d4)*f4+xy_yz_d(d5)*f5+xy_yz_d(d6)*f6; q3=q3*Vdada_d; SS(5,6)=q1+q2+q3; q1=xy_xz_s(d1)*f1+xy_xz_s(d2)*f2+xy_xz_s(d3)*f3+xy_xz_s(d4)*f4+xy_xz_s(d5)*f5+xy_xz_s(d6)*f6; q1=q1*Vdada_s; q2=xy_xz_p(d1)*f1+xy_xz_p(d2)*f2+xy_xz_p(d3)*f3+xy_xz_p(d4)*f4+xy_xz_p(d5)*f5+xy_xz_p(d6)*f6; q2=q2*Vdada_p; q3=xy_xz_d(d1)*f1+xy_xz_d(d2)*f2+xy_xz_d(d3)*f3+xy_xz_d(d4)*f4+xy_xz_d(d5)*f5+xy_xz_d(d6)*f6; q3=q3*Vdada_d; SS(5,7)=q1+q2+q3; q1=xy_x2y2_s(d1)*f1+xy_x2y2_s(d2)*f2+xy_x2y2_s(d3)*f3+xy_x2y2_s(d4)*f4+xy_x2y2_s(d5)*f5+xy_x2y2_s(d6)*f6; q1=q1*Vdada_s; q2=xy_x2y2_p(d1)*f1+xy_x2y2_p(d2)*f2+xy_x2y2_p(d3)*f3+xy_x2y2_p(d4)*f4+xy_x2y2_p(d5)*f5+xy_x2y2_p(d6)*f6; q2=q2*Vdada_p; q3=xy_x2y2_d(d1)*f1+xy_x2y2_d(d2)*f2+xy_x2y2_d(d3)*f3+xy_x2y2_d(d4)*f4+xy_x2y2_d(d5)*f5+xy_x2y2_d(d6)*f6; q3=q3*Vdada_d; SS(5,8)=q1+q2+q3; q1=xy_3z2r2_s(d1)*f1+xy_3z2r2_s(d2)*f2+xy_3z2r2_s(d3)*f3+xy_3z2r2_s(d4)*f4+xy_3z2r2_s(d5)*f5+xy_3z2r2_s(d6)*f6; q1=q1*Vdada_s; q2=xy_3z2r2_p(d1)*f1+xy_3z2r2_p(d2)*f2+xy_3z2r2_p(d3)*f3+xy_3z2r2_p(d4)*f4+xy_3z2r2_p(d5)*f5+xy_3z2r2_p(d6)*f6; q2=q2*Vdada_p; q3=xy_3z2r2_d(d1)*f1+xy_3z2r2_d(d2)*f2+xy_3z2r2_d(d3)*f3+xy_3z2r2_d(d4)*f4+xy_3z2r2_d(d5)*f5+xy_3z2r2_d(d6)*f6; q3=q3*Vdada_d; SS(5,9)=q1+q2+q3; q1=s_yz(-d1)*f1+s_yz(-d2)*f2+s_yz(-d3)*f3+s_yz(-d4)*f4+s_yz(-d5)*f5+s_yz(-d6)*f6; q1=q1*Vsada_s; SS(6,1)=q1; q1=x_yz_s(-d1)*f1+x_yz_s(-d2)*f2+x_yz_s(-d3)*f3+x_yz_s(-d4)*f4+x_yz_s(-d5)*f5+x_yz_s(-d6)*f6; q1=q1*Vpada_s; q2=x_yz_p(-d1)*f1+x_yz_p(-d2)*f2+x_yz_p(-d3)*f3+x_yz_p(-d4)*f4+x_yz_p(-d5)*f5+x_yz_p(-d6)*f6; q2=q2*Vpada_p; SS(6,2)=q1+q2; q1=y_yz_s(-d1)*f1+y_yz_s(-d2)*f2+y_yz_s(-d3)*f3+y_yz_s(-d4)*f4+y_yz_s(-d5)*f5+y_yz_s(-d6)*f6; q1=q1*Vpada_s; q2=y_yz_p(-d1)*f1+y_yz_p(-d2)*f2+y_yz_p(-d3)*f3+y_yz_p(-d4)*f4+y_yz_p(-d5)*f5+y_yz_p(-d6)*f6; q2=q2*Vpada_p; SS(6,3)=q1+q2; q1=z_yz_s(-d1)*f1+z_yz_s(-d2)*f2+z_yz_s(-d3)*f3+z_yz_s(-d4)*f4+z_yz_s(-d5)*f5+z_yz_s(-d6)*f6; q1=q1*Vpada_s; q2=z_yz_p(-d1)*f1+z_yz_p(-d2)*f2+z_yz_p(-d3)*f3+z_yz_p(-d4)*f4+z_yz_p(-d5)*f5+z_yz_p(-d6)*f6; q2=q2*Vpada_p; SS(6,4)=q1+q2; q1=xy_yz_s(-d1)*f1+xy_yz_s(-d2)*f2+xy_yz_s(-d3)*f3+xy_yz_s(-d4)*f4+xy_yz_s(-d5)*f5+xy_yz_s(-d6)*f6; q1=q1*Vdada_s; q2=xy_yz_p(-d1)*f1+xy_yz_p(-d2)*f2+xy_yz_p(-d3)*f3+xy_yz_p(-d4)*f4+xy_yz_p(-d5)*f5+xy_yz_p(-d6)*f6; q2=q2*Vdada_p; q3=xy_yz_d(-d1)*f1+xy_yz_d(-d2)*f2+xy_yz_d(-d3)*f3+xy_yz_d(-d4)*f4+xy_yz_d(-d5)*f5+xy_yz_d(-d6)*f6; q3=q3*Vdada_d; SS(6,5)=q1+q2+q3; q1=yz_yz_s(d1)*f1+yz_yz_s(d2)*f2+yz_yz_s(d3)*f3+yz_yz_s(d4)*f4+yz_yz_s(d5)*f5+yz_yz_s(d6)*f6; q1=q1*Vdada_s; q2=yz_yz_p(d1)*f1+yz_yz_p(d2)*f2+yz_yz_p(d3)*f3+yz_yz_p(d4)*f4+yz_yz_p(d5)*f5+yz_yz_p(d6)*f6; q2=q2*Vdada_p; q3=yz_yz_d(d1)*f1+yz_yz_d(d2)*f2+yz_yz_d(d3)*f3+yz_yz_d(d4)*f4+yz_yz_d(d5)*f5+yz_yz_d(d6)*f6; q3=q3*Vdada_d; SS(6,6)=q1+q2+q3+Eda; q1=yz_xz_s(d1)*f1+yz_xz_s(d2)*f2+yz_xz_s(d3)*f3+yz_xz_s(d4)*f4+yz_xz_s(d5)*f5+yz_xz_s(d6)*f6; q1=q1*Vdada_s; q2=yz_xz_p(d1)*f1+yz_xz_p(d2)*f2+yz_xz_p(d3)*f3+yz_xz_p(d4)*f4+yz_xz_p(d5)*f5+yz_xz_p(d6)*f6; q2=q2*Vdada_p; q3=yz_xz_d(d1)*f1+yz_xz_d(d2)*f2+yz_xz_d(d3)*f3+yz_xz_d(d4)*f4+yz_xz_d(d5)*f5+yz_xz_d(d6)*f6; q3=q3*Vdada_d; SS(6,7)=q1+q2+q3; q1=yz_x2y2_s(d1)*f1+yz_x2y2_s(d2)*f2+yz_x2y2_s(d3)*f3+yz_x2y2_s(d4)*f4+yz_x2y2_s(d5)*f5+yz_x2y2_s(d6)*f6; q1=q1*Vdada_s; q2=yz_x2y2_p(d1)*f1+yz_x2y2_p(d2)*f2+yz_x2y2_p(d3)*f3+yz_x2y2_p(d4)*f4+yz_x2y2_p(d5)*f5+yz_x2y2_p(d6)*f6; q2=q2*Vdada_p; q3=yz_x2y2_d(d1)*f1+yz_x2y2_d(d2)*f2+yz_x2y2_d(d3)*f3+yz_x2y2_d(d4)*f4+yz_x2y2_d(d5)*f5+yz_x2y2_d(d6)*f6; q3=q3*Vdada_d; SS(6,8)=q1+q2+q3; q1=yz_3z2r2_s(d1)*f1+yz_3z2r2_s(d2)*f2+yz_3z2r2_s(d3)*f3+yz_3z2r2_s(d4)*f4+yz_3z2r2_s(d5)*f5+yz_3z2r2_s(d6)*f6; q1=q1*Vdada_s; q2=yz_3z2r2_p(d1)*f1+yz_3z2r2_p(d2)*f2+yz_3z2r2_p(d3)*f3+yz_3z2r2_p(d4)*f4+yz_3z2r2_p(d5)*f5+yz_3z2r2_p(d6)*f6; q2=q2*Vdada_p; q3=yz_3z2r2_d(d1)*f1+yz_3z2r2_d(d2)*f2+yz_3z2r2_d(d3)*f3+yz_3z2r2_d(d4)*f4+yz_3z2r2_d(d5)*f5+yz_3z2r2_d(d6)*f6; q3=q3*Vdada_d; SS(6,9)=q1+q2+q3; q1=s_xz(-d1)*f1+s_xz(-d2)*f2+s_xz(-d3)*f3+s_xz(-d4)*f4+s_xz(-d5)*f5+s_xz(-d6)*f6; q1=q1*Vsada_s; SS(7,1)=q1; q1=x_xz_s(-d1)*f1+x_xz_s(-d2)*f2+x_xz_s(-d3)*f3+x_xz_s(-d4)*f4+x_xz_s(-d5)*f5+x_xz_s(-d6)*f6; q1=q1*Vpada_s; q2=x_xz_p(-d1)*f1+x_xz_p(-d2)*f2+x_xz_p(-d3)*f3+x_xz_p(-d4)*f4+x_xz_p(-d5)*f5+x_xz_p(-d6)*f6; q2=q2*Vpada_p; SS(7,2)=q1+q2; q1=y_xz_s(-d1)*f1+y_xz_s(-d2)*f2+y_xz_s(-d3)*f3+y_xz_s(-d4)*f4+y_xz_s(-d5)*f5+y_xz_s(-d6)*f6; q1=q1*Vpada_s; q2=y_xz_p(-d1)*f1+y_xz_p(-d2)*f2+y_xz_p(-d3)*f3+y_xz_p(-d4)*f4+y_xz_p(-d5)*f5+y_xz_p(-d6)*f6; q2=q2*Vpada_p; SS(7,3)=q1+q2; q1=z_xz_s(-d1)*f1+z_xz_s(-d2)*f2+z_xz_s(-d3)*f3+z_xz_s(-d4)*f4+z_xz_s(-d5)*f5+z_xz_s(-d6)*f6; q1=q1*Vpada_s; q2=z_xz_p(-d1)*f1+z_xz_p(-d2)*f2+z_xz_p(-d3)*f3+z_xz_p(-d4)*f4+z_xz_p(-d5)*f5+z_xz_p(-d6)*f6; q2=q2*Vpada_p; SS(7,4)=q1+q2; q1=xy_xz_s(-d1)*f1+xy_xz_s(-d2)*f2+xy_xz_s(-d3)*f3+xy_xz_s(-d4)*f4+xy_xz_s(-d5)*f5+xy_xz_s(-d6)*f6; q1=q1*Vdada_s; q2=xy_xz_p(-d1)*f1+xy_xz_p(-d2)*f2+xy_xz_p(-d3)*f3+xy_xz_p(-d4)*f4+xy_xz_p(-d5)*f5+xy_xz_p(-d6)*f6; q2=q2*Vdada_p; q3=xy_xz_d(-d1)*f1+xy_xz_d(-d2)*f2+xy_xz_d(-d3)*f3+xy_xz_d(-d4)*f4+xy_xz_d(-d5)*f5+xy_xz_d(-d6)*f6; q3=q3*Vdada_d; SS(7,5)=q1+q2+q3; q1=yz_xz_s(-d1)*f1+yz_xz_s(-d2)*f2+yz_xz_s(-d3)*f3+yz_xz_s(-d4)*f4+yz_xz_s(-d5)*f5+yz_xz_s(-d6)*f6; q1=q1*Vdada_s; q2=yz_xz_p(-d1)*f1+yz_xz_p(-d2)*f2+yz_xz_p(-d3)*f3+yz_xz_p(-d4)*f4+yz_xz_p(-d5)*f5+yz_xz_p(-d6)*f6; q2=q2*Vdada_p; q3=yz_xz_d(-d1)*f1+yz_xz_d(-d2)*f2+yz_xz_d(-d3)*f3+yz_xz_d(-d4)*f4+yz_xz_d(-d5)*f5+yz_xz_d(-d6)*f6; q3=q3*Vdada_d; SS(7,6)=q1+q2+q3; q1=xz_xz_s(d1)*f1+xz_xz_s(d2)*f2+xz_xz_s(d3)*f3+xz_xz_s(d4)*f4+xz_xz_s(d5)*f5+xz_xz_s(d6)*f6; q1=q1*Vdada_s; q2=xz_xz_p(d1)*f1+xz_xz_p(d2)*f2+xz_xz_p(d3)*f3+xz_xz_p(d4)*f4+xz_xz_p(d5)*f5+xz_xz_p(d6)*f6; q2=q2*Vdada_p; q3=xz_xz_d(d1)*f1+xz_xz_d(d2)*f2+xz_xz_d(d3)*f3+xz_xz_d(d4)*f4+xz_xz_d(d5)*f5+xz_xz_d(d6)*f6; q3=q3*Vdada_d; SS(7,7)=q1+q2+q3+Eda; q1=xz_x2y2_s(d1)*f1+xz_x2y2_s(d2)*f2+xz_x2y2_s(d3)*f3+xz_x2y2_s(d4)*f4+xz_x2y2_s(d5)*f5+xz_x2y2_s(d6)*f6; q1=q1*Vdada_s; q2=xz_x2y2_p(d1)*f1+xz_x2y2_p(d2)*f2+xz_x2y2_p(d3)*f3+xz_x2y2_p(d4)*f4+xz_x2y2_p(d5)*f5+xz_x2y2_p(d6)*f6; q2=q2*Vdada_p; q3=xz_x2y2_d(d1)*f1+xz_x2y2_d(d2)*f2+xz_x2y2_d(d3)*f3+xz_x2y2_d(d4)*f4+xz_x2y2_d(d5)*f5+xz_x2y2_d(d6)*f6; q3=q3*Vdada_d; SS(7,8)=q1+q2+q3; q1=xz_3z2r2_s(d1)*f1+xz_3z2r2_s(d2)*f2+xz_3z2r2_s(d3)*f3+xz_3z2r2_s(d4)*f4+xz_3z2r2_s(d5)*f5+xz_3z2r2_s(d6)*f6; q1=q1*Vdada_s; q2=xz_3z2r2_p(d1)*f1+xz_3z2r2_p(d2)*f2+xz_3z2r2_p(d3)*f3+xz_3z2r2_p(d4)*f4+xz_3z2r2_p(d5)*f5+xz_3z2r2_p(d6)*f6; q2=q2*Vdada_p; q3=xz_3z2r2_d(d1)*f1+xz_3z2r2_d(d2)*f2+xz_3z2r2_d(d3)*f3+xz_3z2r2_d(d4)*f4+xz_3z2r2_d(d5)*f5+xz_3z2r2_d(d6)*f6; q3=q3*Vdada_d; SS(7,9)=q1+q2+q3; q1=s_x2y2(-d1)*f1+s_x2y2(-d2)*f2+s_x2y2(-d3)*f3+s_x2y2(-d4)*f4+s_x2y2(-d5)*f5+s_x2y2(-d6)*f6; q1=q1*Vsada_s; SS(8,1)=q1; q1=x_x2y2_s(-d1)*f1+x_x2y2_s(-d2)*f2+x_x2y2_s(-d3)*f3+x_x2y2_s(-d4)*f4+x_x2y2_s(-d5)*f5+x_x2y2_s(-d6)*f6; q1=q1*Vpada_s; q2=x_x2y2_p(-d1)*f1+x_x2y2_p(-d2)*f2+x_x2y2_p(-d3)*f3+x_x2y2_p(-d4)*f4+x_x2y2_p(-d5)*f5+x_x2y2_p(-d6)*f6; q2=q2*Vpada_p; SS(8,2)=q1+q2; q1=y_x2y2_s(-d1)*f1+y_x2y2_s(-d2)*f2+y_x2y2_s(-d3)*f3+y_x2y2_s(-d4)*f4+y_x2y2_s(-d5)*f5+y_x2y2_s(-d6)*f6; q1=q1*Vpada_s; q2=y_x2y2_p(-d1)*f1+y_x2y2_p(-d2)*f2+y_x2y2_p(-d3)*f3+y_x2y2_p(-d4)*f4+y_x2y2_p(-d5)*f5+y_x2y2_p(-d6)*f6; q2=q2*Vpada_p; SS(8,3)=q1+q2; q1=z_x2y2_s(-d1)*f1+z_x2y2_s(-d2)*f2+z_x2y2_s(-d3)*f3+z_x2y2_s(-d4)*f4+z_x2y2_s(-d5)*f5+z_x2y2_s(-d6)*f6; q1=q1*Vpada_s; q2=z_x2y2_p(-d1)*f1+z_x2y2_p(-d2)*f2+z_x2y2_p(-d3)*f3+z_x2y2_p(-d4)*f4+z_x2y2_p(-d5)*f5+z_x2y2_p(-d6)*f6; q2=q2*Vpada_p; SS(8,4)=q1+q2; q1=xy_x2y2_s(-d1)*f1+xy_x2y2_s(-d2)*f2+xy_x2y2_s(-d3)*f3+xy_x2y2_s(-d4)*f4+xy_x2y2_s(-d5)*f5+xy_x2y2_s(-d6)*f6; q1=q1*Vdada_s; q2=xy_x2y2_p(-d1)*f1+xy_x2y2_p(-d2)*f2+xy_x2y2_p(-d3)*f3+xy_x2y2_p(-d4)*f4+xy_x2y2_p(-d5)*f5+xy_x2y2_p(-d6)*f6; q2=q2*Vdada_p; q3=xy_x2y2_d(-d1)*f1+xy_x2y2_d(-d2)*f2+xy_x2y2_d(-d3)*f3+xy_x2y2_d(-d4)*f4+xy_x2y2_d(-d5)*f5+xy_x2y2_d(-d6)*f6; q3=q3*Vdada_d; SS(8,5)=q1+q2+q3; q1=yz_x2y2_s(-d1)*f1+yz_x2y2_s(-d2)*f2+yz_x2y2_s(-d3)*f3+yz_x2y2_s(-d4)*f4+yz_x2y2_s(-d5)*f5+yz_x2y2_s(-d6)*f6; q1=q1*Vdada_s; q2=yz_x2y2_p(-d1)*f1+yz_x2y2_p(-d2)*f2+yz_x2y2_p(-d3)*f3+yz_x2y2_p(-d4)*f4+yz_x2y2_p(-d5)*f5+yz_x2y2_p(-d6)*f6; q2=q2*Vdada_p; q3=yz_x2y2_d(-d1)*f1+yz_x2y2_d(-d2)*f2+yz_x2y2_d(-d3)*f3+yz_x2y2_d(-d4)*f4+yz_x2y2_d(-d5)*f5+yz_x2y2_d(-d6)*f6; q3=q3*Vdada_d; SS(8,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1+xz_x2y2_s(-d2)*f2+xz_x2y2_s(-d3)*f3+xz_x2y2_s(-d4)*f4+xz_x2y2_s(-d5)*f5+xz_x2y2_s(-d6)*f6; q1=q1*Vdada_s; q2=xz_x2y2_p(-d1)*f1+xz_x2y2_p(-d2)*f2+xz_x2y2_p(-d3)*f3+xz_x2y2_p(-d4)*f4+xz_x2y2_p(-d5)*f5+xz_x2y2_p(-d6)*f6; q2=q2*Vdada_p; q3=xz_x2y2_d(-d1)*f1+xz_x2y2_d(-d2)*f2+xz_x2y2_d(-d3)*f3+xz_x2y2_d(-d4)*f4+xz_x2y2_d(-d5)*f5+xz_x2y2_d(-d6)*f6; q3=q3*Vdada_d; SS(8,7)=q1+q2+q3; q1=x2y2_x2y2_s(d1)*f1+x2y2_x2y2_s(d2)*f2+x2y2_x2y2_s(d3)*f3+x2y2_x2y2_s(d4)*f4+x2y2_x2y2_s(d5)*f5+x2y2_x2y2_s(d6)*f6; q1=q1*Vdada_s; q2=x2y2_x2y2_p(d1)*f1+x2y2_x2y2_p(d2)*f2+x2y2_x2y2_p(d3)*f3+x2y2_x2y2_p(d4)*f4+x2y2_x2y2_p(d5)*f5+x2y2_x2y2_p(d6)*f6; q2=q2*Vdada_p; q3=x2y2_x2y2_d(d1)*f1+x2y2_x2y2_d(d2)*f2+x2y2_x2y2_d(d3)*f3+x2y2_x2y2_d(d4)*f4+x2y2_x2y2_d(d5)*f5+x2y2_x2y2_d(d6)*f6; q3=q3*Vdada_d; SS(8,8)=q1+q2+q3+Eda; q1=x2y2_3z2r2_s(d1)*f1+x2y2_3z2r2_s(d2)*f2+x2y2_3z2r2_s(d3)*f3+x2y2_3z2r2_s(d4)*f4+x2y2_3z2r2_s(d5)*f5+x2y2_3z2r2_s(d6)*f6; q1=q1*Vdada_s; q2=x2y2_3z2r2_p(d1)*f1+x2y2_3z2r2_p(d2)*f2+x2y2_3z2r2_p(d3)*f3+x2y2_3z2r2_p(d4)*f4+x2y2_3z2r2_p(d5)*f5+x2y2_3z2r2_p(d6)*f6; q2=q2*Vdada_p; q3=x2y2_3z2r2_d(d1)*f1+x2y2_3z2r2_d(d2)*f2+x2y2_3z2r2_d(d3)*f3+x2y2_3z2r2_d(d4)*f4+x2y2_3z2r2_d(d5)*f5+x2y2_3z2r2_d(d6)*f6; q3=q3*Vdada_d; SS(8,9)=q1+q2+q3; q1=s_3z2r2(-d1)*f1+s_3z2r2(-d2)*f2+s_3z2r2(-d3)*f3+s_3z2r2(-d4)*f4+s_3z2r2(-d5)*f5+s_3z2r2(-d6)*f6; q1=q1*Vsada_s; SS(9,1)=q1; q1=x_3z2r2_s(-d1)*f1+x_3z2r2_s(-d2)*f2+x_3z2r2_s(-d3)*f3+x_3z2r2_s(-d4)*f4+x_3z2r2_s(-d5)*f5+x_3z2r2_s(-d6)*f6; q1=q1*Vpada_s; q2=x_3z2r2_p(-d1)*f1+x_3z2r2_p(-d2)*f2+x_3z2r2_p(-d3)*f3+x_3z2r2_p(-d4)*f4+x_3z2r2_p(-d5)*f5+x_3z2r2_p(-d6)*f6; q2=q2*Vpada_p; SS(9,2)=q1+q2; q1=y_3z2r2_s(-d1)*f1+y_3z2r2_s(-d2)*f2+y_3z2r2_s(-d3)*f3+y_3z2r2_s(-d4)*f4+y_3z2r2_s(-d5)*f5+y_3z2r2_s(-d6)*f6; q1=q1*Vpada_s; q2=y_3z2r2_p(-d1)*f1+y_3z2r2_p(-d2)*f2+y_3z2r2_p(-d3)*f3+y_3z2r2_p(-d4)*f4+y_3z2r2_p(-d5)*f5+y_3z2r2_p(-d6)*f6; q2=q2*Vpada_p; SS(9,3)=q1+q2; q1=z_3z2r2_s(-d1)*f1+z_3z2r2_s(-d2)*f2+z_3z2r2_s(-d3)*f3+z_3z2r2_s(-d4)*f4+z_3z2r2_s(-d5)*f5+z_3z2r2_s(-d6)*f6; q1=q1*Vpada_s; q2=z_3z2r2_p(-d1)*f1+z_3z2r2_p(-d2)*f2+z_3z2r2_p(-d3)*f3+z_3z2r2_p(-d4)*f4+z_3z2r2_p(-d5)*f5+z_3z2r2_p(-d6)*f6; q2=q2*Vpada_p; SS(9,4)=q1+q2; q1=xy_3z2r2_s(-d1)*f1+xy_3z2r2_s(-d2)*f2+xy_3z2r2_s(-d3)*f3+xy_3z2r2_s(-d4)*f4+xy_3z2r2_s(-d5)*f5+xy_3z2r2_s(-d6)*f6; q1=q1*Vdada_s; q2=xy_3z2r2_p(-d1)*f1+xy_3z2r2_p(-d2)*f2+xy_3z2r2_p(-d3)*f3+xy_3z2r2_p(-d4)*f4+xy_3z2r2_p(-d5)*f5+xy_3z2r2_p(-d6)*f6; q2=q2*Vdada_p; q3=xy_3z2r2_d(-d1)*f1+xy_3z2r2_d(-d2)*f2+xy_3z2r2_d(-d3)*f3+xy_3z2r2_d(-d4)*f4+xy_3z2r2_d(-d5)*f5+xy_3z2r2_d(-d6)*f6; q3=q3*Vdada_d; SS(9,5)=q1+q2+q3; q1=yz_3z2r2_s(-d1)*f1+yz_3z2r2_s(-d2)*f2+yz_3z2r2_s(-d3)*f3+yz_3z2r2_s(-d4)*f4+yz_3z2r2_s(-d5)*f5+yz_3z2r2_s(-d6)*f6; q1=q1*Vdada_s; q2=yz_3z2r2_p(-d1)*f1+yz_3z2r2_p(-d2)*f2+yz_3z2r2_p(-d3)*f3+yz_3z2r2_p(-d4)*f4+yz_3z2r2_p(-d5)*f5+yz_3z2r2_p(-d6)*f6; q2=q2*Vdada_p; q3=yz_3z2r2_d(-d1)*f1+yz_3z2r2_d(-d2)*f2+yz_3z2r2_d(-d3)*f3+yz_3z2r2_d(-d4)*f4+yz_3z2r2_d(-d5)*f5+yz_3z2r2_d(-d6)*f6; q3=q3*Vdada_d; SS(9,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1+xz_x2y2_s(-d2)*f2+xz_3z2r2_s(-d3)*f3+xz_3z2r2_s(-d4)*f4+xz_3z2r2_s(-d5)*f5+xz_3z2r2_s(-d6)*f6; q1=q1*Vdada_s; q2=xz_x2y2_p(-d1)*f1+xz_x2y2_p(-d2)*f2+xz_3z2r2_p(-d3)*f3+xz_3z2r2_p(-d4)*f4+xz_3z2r2_p(-d5)*f5+xz_3z2r2_p(-d6)*f6; q2=q2*Vdada_p; q3=xz_x2y2_d(-d1)*f1+xz_x2y2_d(-d2)*f2+xz_3z2r2_d(-d3)*f3+xz_3z2r2_d(-d4)*f4+xz_3z2r2_d(-d5)*f5+xz_3z2r2_d(-d6)*f6; q3=q3*Vdada_d; SS(9,7)=q1+q2+q3; q1=x2y2_3z2r2_s(-d1)*f1+x2y2_3z2r2_s(-d2)*f2+x2y2_3z2r2_s(-d3)*f3+x2y2_3z2r2_s(-d4)*f4+x2y2_3z2r2_s(-d5)*f5+x2y2_3z2r2_s(-d6)*f6; q1=q1*Vdada_s; q2=x2y2_3z2r2_p(-d1)*f1+x2y2_3z2r2_p(-d2)*f2+x2y2_3z2r2_p(-d3)*f3+x2y2_3z2r2_p(-d4)*f4+x2y2_3z2r2_p(-d5)*f5+x2y2_3z2r2_p(-d6)*f6; q2=q2*Vdada_p; q3=x2y2_3z2r2_d(-d1)*f1+x2y2_3z2r2_d(-d2)*f2+x2y2_3z2r2_d(-d3)*f3+x2y2_3z2r2_d(-d4)*f4+x2y2_3z2r2_d(-d5)*f5+x2y2_3z2r2_d(-d6)*f6; q3=q3*Vdada_d; SS(9,8)=q1+q2+q3; q1=h3z2r2_3z2r2_s(d1)*f1+h3z2r2_3z2r2_s(d2)*f2+h3z2r2_3z2r2_s(d3)*f3+h3z2r2_3z2r2_s(d4)*f4+h3z2r2_3z2r2_s(d5)*f5+h3z2r2_3z2r2_s(d6)*f6; q1=q1*Vdada_s; q2=h3z2r2_3z2r2_p(d1)*f1+h3z2r2_3z2r2_p(d2)*f2+h3z2r2_3z2r2_p(d3)*f3+h3z2r2_3z2r2_p(d4)*f4+h3z2r2_3z2r2_p(d5)*f5+h3z2r2_3z2r2_p(d6)*f6; q2=q2*Vdada_p; q3=h3z2r2_3z2r2_d(d1)*f1+h3z2r2_3z2r2_d(d2)*f2+h3z2r2_3z2r2_d(d3)*f3+h3z2r2_3z2r2_d(d4)*f4+h3z2r2_3z2r2_d(d5)*f5+h3z2r2_3z2r2_d(d6)*f6; q3=q3*Vdada_d; SS(9,9)=q1+q2+q3+Eda; end % Mo - Mo r1=a0*[1,0,0]; r2=a0*[-1,0,0]; r3=a0*[1/2,sqrt(3)/2,0]; r4=a0*[-1/2,-sqrt(3)/2,0]; r5=a0*[-1/2,sqrt(3)/2,0]; r6=a0*[1/2,-sqrt(3)/2,0]; d1=r1/norm(r1); d2=r2/norm(r2); d3=r3/norm(r3); d4=r4/norm(r4); d5=r5/norm(r5); d6=r6/norm(r6); f1=exp(1i*dot(r1,kk)); f2=exp(1i*dot(r2,kk)); f3=exp(1i*dot(r3,kk)); f4=exp(1i*dot(r4,kk)); f5=exp(1i*dot(r5,kk)); f6=exp(1i*dot(r6,kk)); MM=zeros(9,9); for w=1 MM(1,1)=f1+f2+f3+f4+f5+f6; MM(1,1)=Esc+MM(1,1)*Vscsc_s; MM(1,2)=s_x(d1)*f1+s_x(d2)*f2+s_x(d3)*f3+s_x(d4)*f4+s_x(d5)*f5+s_x(d6)*f6; MM(1,2)=MM(1,2)*Vscpc_s; MM(1,3)=s_y(d1)*f1+s_y(d2)*f2+s_y(d3)*f3+s_y(d4)*f4+s_y(d5)*f5+s_y(d6)*f6; MM(1,3)=MM(1,3)*Vscpc_s; MM(1,4)=s_z(d1)*f1+s_z(d2)*f2+s_z(d3)*f3+s_z(d4)*f4+s_z(d5)*f5+s_z(d6)*f6; MM(1,4)=MM(1,4)*Vscpc_s; MM(1,5)=s_xy(d1)*f1+s_xy(d2)*f2+s_xy(d3)*f3+s_xy(d4)*f4+s_xy(d5)*f5+s_xy(d6)*f6; MM(1,5)=MM(1,5)*Vscdc_s; MM(1,6)=s_yz(d1)*f1+s_yz(d2)*f2+s_yz(d3)*f3+s_yz(d4)*f4+s_yz(d5)*f5+s_yz(d6)*f6; MM(1,6)=MM(1,6)*Vscdc_s; MM(1,7)=s_xz(d1)*f1+s_xz(d2)*f2+s_xz(d3)*f3+s_xz(d4)*f4+s_xz(d5)*f5+s_xz(d6)*f6; MM(1,7)=MM(1,7)*Vscdc_s; MM(1,8)=s_x2y2(d1)*f1+s_x2y2(d2)*f2+s_x2y2(d3)*f3+s_x2y2(d4)*f4+s_x2y2(d5)*f5+s_x2y2(d6)*f6; MM(1,8)=MM(1,8)*Vscdc_s; MM(1,9)=s_3z2r2(d1)*f1+s_3z2r2(d2)*f2+s_3z2r2(d3)*f3+s_3z2r2(d4)*f4+s_3z2r2(d5)*f5+s_3z2r2(d6)*f6; MM(1,9)=MM(1,9)*Vscdc_s; p1=s_x(-d1)*f1+s_x(-d2)*f2+s_x(-d3)*f3+s_x(-d4)*f4+s_x(-d5)*f5+s_x(-d6)*f6; p1=p1*Vscpc_s; MM(2,1)=p1; p1=x_x_s(d1)*f1+x_x_s(d2)*f2+x_x_s(d3)*f3+x_x_s(d4)*f4+x_x_s(d5)*f5+x_x_s(d6)*f6; p1=p1*Vpcpc_s; p2=x_x_p(d1)*f1+x_x_p(d2)*f2+x_x_p(d3)*f3+x_x_p(d4)*f4+x_x_p(d5)*f5+x_x_p(d6)*f6; p2=p2*Vpcpc_p; MM(2,2)=p1+p2+Epc; p1=x_y_s(d1)*f1+x_y_s(d2)*f2+x_y_s(d3)*f3+x_y_s(d4)*f4+x_y_s(d5)*f5+x_y_s(d6)*f6; p1=p1*Vpcpc_s; p2=x_y_p(d1)*f1+x_y_p(d2)*f2+x_y_p(d3)*f3+x_y_p(d4)*f4+x_y_p(d5)*f5+x_y_p(d6)*f6; p2=p2*Vpcpc_p; MM(2,3)=p1+p2; p1=x_z_s(d1)*f1+x_z_s(d2)*f2+x_z_s(d3)*f3+x_z_s(d4)*f4+x_z_s(d5)*f5+x_z_s(d6)*f6; p1=p1*Vpcpc_s; p2=x_z_p(d1)*f1+x_z_p(d2)*f2+x_z_p(d3)*f3+x_z_p(d4)*f4+x_z_p(d5)*f5+x_z_p(d6)*f6; p2=p2*Vpcpc_p; MM(2,4)=p1+p2; q1=x_xy_s(d1)*f1+x_xy_s(d2)*f2+x_xy_s(d3)*f3+x_xy_s(d4)*f4+x_xy_s(d5)*f5+x_xy_s(d6)*f6; q1=q1*Vpcdc_s; q2=x_xy_p(d1)*f1+x_xy_p(d2)*f2+x_xy_p(d3)*f3+x_xy_p(d4)*f4+x_xy_p(d5)*f5+x_xy_p(d6)*f6; q2=q2*Vpcdc_p; MM(2,5)=q1+q2; q1=x_yz_s(d1)*f1+x_yz_s(d2)*f2+x_yz_s(d3)*f3+x_yz_s(d4)*f4+x_yz_s(d5)*f5+x_yz_s(d6)*f6; q1=q1*Vpcdc_s; q2=x_yz_p(d1)*f1+x_yz_p(d2)*f2+x_yz_p(d3)*f3+x_yz_p(d4)*f4+x_yz_p(d5)*f5+x_yz_p(d6)*f6; q2=q2*Vpcdc_p; MM(2,6)=q1+q2; q1=x_xz_s(d1)*f1+x_xz_s(d2)*f2+x_xz_s(d3)*f3+x_xz_s(d4)*f4+x_xz_s(d5)*f5+x_xz_s(d6)*f6; q1=q1*Vpcdc_s; q2=x_xz_p(d1)*f1+x_xz_p(d2)*f2+x_xz_p(d3)*f3+x_xz_p(d4)*f4+x_xz_p(d5)*f5+x_xz_p(d6)*f6; q2=q2*Vpcdc_p; MM(2,7)=q1+q2; q1=x_x2y2_s(d1)*f1+x_x2y2_s(d2)*f2+x_x2y2_s(d3)*f3+x_x2y2_s(d4)*f4+x_x2y2_s(d5)*f5+x_x2y2_s(d6)*f6; q1=q1*Vpcdc_s; q2=x_x2y2_p(d1)*f1+x_x2y2_p(d2)*f2+x_x2y2_p(d3)*f3+x_x2y2_p(d4)*f4+x_x2y2_p(d5)*f5+x_x2y2_p(d6)*f6; q2=q2*Vpcdc_p; MM(2,8)=q1+q2; q1=x_3z2r2_s(d1)*f1+x_3z2r2_s(d2)*f2+x_3z2r2_s(d3)*f3+x_3z2r2_s(d4)*f4+x_3z2r2_s(d5)*f5+x_3z2r2_s(d6)*f6; q1=q1*Vpcdc_s; q2=x_3z2r2_p(d1)*f1+x_3z2r2_p(d2)*f2+x_3z2r2_p(d3)*f3+x_3z2r2_p(d4)*f4+x_3z2r2_p(d5)*f5+x_3z2r2_p(d6)*f6; q2=q2*Vpcdc_p; MM(2,9)=q1+q2; p1=s_y(-d1)*f1+s_y(-d2)*f2+s_y(-d3)*f3+s_y(-d4)*f4+s_y(-d5)*f5+s_y(-d6)*f6; p1=p1*Vscpc_s; MM(3,1)=p1; p1=x_y_s(-d1)*f1+x_y_s(-d2)*f2+x_y_s(-d3)*f3+x_y_s(-d4)*f4+x_y_s(-d5)*f5+x_y_s(-d6)*f6; p1=p1*Vpcpc_s; p2=x_y_p(-d1)*f1+x_y_p(-d2)*f2+x_y_p(-d3)*f3+x_y_p(-d4)*f4+x_y_p(-d5)*f5+x_y_p(-d6)*f6; p2=p2*Vpcpc_p; MM(3,2)=p1+p2; p1=y_y_s(d1)*f1+y_y_s(d2)*f2+y_y_s(d3)*f3+y_y_s(d4)*f4+y_y_s(d5)*f5+y_y_s(d6)*f6; p1=p1*Vpcpc_s; p2=y_y_p(d1)*f1+y_y_p(d2)*f2+y_y_p(d3)*f3+y_y_p(d4)*f4+y_y_p(d5)*f5+y_y_p(d6)*f6; p2=p2*Vpcpc_p; MM(3,3)=p1+p2+Epc; p1=y_z_s(d1)*f1+y_z_s(d2)*f2+y_z_s(d3)*f3+y_z_s(d4)*f4+y_z_s(d5)*f5+y_z_s(d6)*f6; p1=p1*Vpcpc_s; p2=y_z_p(d1)*f1+y_z_p(d2)*f2+y_z_p(d3)*f3+y_z_p(d4)*f4+y_z_p(d5)*f5+y_z_p(d6)*f6; p2=p2*Vpcpc_p; MM(3,4)=p1+p2; q1=y_xy_s(d1)*f1+y_xy_s(d2)*f2+y_xy_s(d3)*f3+y_xy_s(d4)*f4+y_xy_s(d5)*f5+y_xy_s(d6)*f6; q1=q1*Vpcdc_s; q2=y_xy_p(d1)*f1+y_xy_p(d2)*f2+y_xy_p(d3)*f3+y_xy_p(d4)*f4+y_xy_p(d5)*f5+y_xy_p(d6)*f6; q2=q2*Vpcdc_p; MM(3,5)=q1+q2; q1=y_yz_s(d1)*f1+y_yz_s(d2)*f2+y_yz_s(d3)*f3+y_yz_s(d4)*f4+y_yz_s(d5)*f5+y_yz_s(d6)*f6; q1=q1*Vpcdc_s; q2=y_yz_p(d1)*f1+y_yz_p(d2)*f2+y_yz_p(d3)*f3+y_yz_p(d4)*f4+y_yz_p(d5)*f5+y_yz_p(d6)*f6; q2=q2*Vpcdc_p; MM(3,6)=q1+q2; q1=y_xz_s(d1)*f1+y_xz_s(d2)*f2+y_xz_s(d3)*f3+y_xz_s(d4)*f4+y_xz_s(d5)*f5+y_xz_s(d6)*f6; q1=q1*Vpcdc_s; q2=y_xz_p(d1)*f1+y_xz_p(d2)*f2+y_xz_p(d3)*f3+y_xz_p(d4)*f4+y_xz_p(d5)*f5+y_xz_p(d6)*f6; q2=q2*Vpcdc_p; MM(3,7)=q1+q2; q1=y_x2y2_s(d1)*f1+y_x2y2_s(d2)*f2+y_x2y2_s(d3)*f3+y_x2y2_s(d4)*f4+y_x2y2_s(d5)*f5+y_x2y2_s(d6)*f6; q1=q1*Vpcdc_s; q2=y_x2y2_p(d1)*f1+y_x2y2_p(d2)*f2+y_x2y2_p(d3)*f3+y_x2y2_p(d4)*f4+y_x2y2_p(d5)*f5+y_x2y2_p(d6)*f6; q2=q2*Vpcdc_p; MM(3,8)=q1+q2; q1=y_3z2r2_s(d1)*f1+y_3z2r2_s(d2)*f2+y_3z2r2_s(d3)*f3+y_3z2r2_s(d4)*f4+y_3z2r2_s(d5)*f5+y_3z2r2_s(d6)*f6; q1=q1*Vpcdc_s; q2=y_3z2r2_p(d1)*f1+y_3z2r2_p(d2)*f2+y_3z2r2_p(d3)*f3+y_3z2r2_p(d4)*f4+y_3z2r2_p(d5)*f5+y_3z2r2_p(d6)*f6; q2=q2*Vpcdc_p; MM(3,9)=q1+q2; p1=s_z(-d1)*f1+s_z(-d2)*f2+s_z(-d3)*f3+s_z(-d4)*f4+s_z(-d5)*f5+s_z(-d6)*f6; p1=p1*Vscpc_s; MM(4,1)=p1; p1=x_z_s(-d1)*f1+x_z_s(-d2)*f2+x_z_s(-d3)*f3+x_z_s(-d4)*f4+x_z_s(-d5)*f5+x_z_s(-d6)*f6; p1=p1*Vpcpc_s; p2=x_z_p(-d1)*f1+x_z_p(-d2)*f2+x_z_p(-d3)*f3+x_z_p(-d4)*f4+x_z_p(-d5)*f5+x_z_p(-d6)*f6; p2=p2*Vpcpc_p; MM(4,2)=p1+p2; p1=y_z_s(-d1)*f1+y_z_s(-d2)*f2+y_z_s(-d3)*f3+y_z_s(-d4)*f4+y_z_s(-d5)*f5+y_z_s(-d6)*f6; p1=p1*Vpcpc_s; p2=y_z_p(-d1)*f1+y_z_p(-d2)*f2+y_z_p(-d3)*f3+y_z_p(-d4)*f4+y_z_p(-d5)*f5+y_z_p(-d6)*f6; p2=p2*Vpcpc_p; MM(4,3)=p1+p2; p1=z_z_s(d1)*f1+z_z_s(d2)*f2+z_z_s(d3)*f3+z_z_s(d4)*f4+z_z_s(d5)*f5+z_z_s(d6)*f6; p1=p1*Vpcpc_s; p2=z_z_p(d1)*f1+z_z_p(d2)*f2+z_z_p(d3)*f3+z_z_p(d4)*f4+z_z_p(d5)*f5+z_z_p(d6)*f6; p2=p2*Vpcpc_p; MM(4,4)=p1+p2+Epc; q1=z_xy_s(d1)*f1+z_xy_s(d2)*f2+z_xy_s(d3)*f3+z_xy_s(d4)*f4+z_xy_s(d5)*f5+z_xy_s(d6)*f6; q1=q1*Vpcdc_s; q2=z_xy_p(d1)*f1+z_xy_p(d2)*f2+z_xy_p(d3)*f3+z_xy_p(d4)*f4+z_xy_p(d5)*f5+z_xy_p(d6)*f6; q2=q2*Vpcdc_p; MM(4,5)=q1+q2; q1=z_yz_s(d1)*f1+z_yz_s(d2)*f2+z_yz_s(d3)*f3+z_yz_s(d4)*f4+z_yz_s(d5)*f5+z_yz_s(d6)*f6; q1=q1*Vpcdc_s; q2=z_yz_p(d1)*f1+z_yz_p(d2)*f2+z_yz_p(d3)*f3+z_yz_p(d4)*f4+z_yz_p(d5)*f5+z_yz_p(d6)*f6; q2=q2*Vpcdc_p; MM(4,6)=q1+q2; q1=z_xz_s(d1)*f1+z_xz_s(d2)*f2+z_xz_s(d3)*f3+z_xz_s(d4)*f4+z_xz_s(d5)*f5+z_xz_s(d6)*f6; q1=q1*Vpcdc_s; q2=z_xz_p(d1)*f1+z_xz_p(d2)*f2+z_xz_p(d3)*f3+z_xz_p(d4)*f4+z_xz_p(d5)*f5+z_xz_p(d6)*f6; q2=q2*Vpcdc_p; MM(4,7)=q1+q2; q1=z_x2y2_s(d1)*f1+z_x2y2_s(d2)*f2+z_x2y2_s(d3)*f3+z_x2y2_s(d4)*f4+z_x2y2_s(d5)*f5+z_x2y2_s(d6)*f6; q1=q1*Vpcdc_s; q2=z_x2y2_p(d1)*f1+z_x2y2_p(d2)*f2+z_x2y2_p(d3)*f3+z_x2y2_p(d4)*f4+z_x2y2_p(d5)*f5+z_x2y2_p(d6)*f6; q2=q2*Vpcdc_p; MM(4,8)=q1+q2; q1=z_3z2r2_s(d1)*f1+z_3z2r2_s(d2)*f2+z_3z2r2_s(d3)*f3+z_3z2r2_s(d4)*f4+z_3z2r2_s(d5)*f5+z_3z2r2_s(d6)*f6; q1=q1*Vpcdc_s; q2=z_3z2r2_p(d1)*f1+z_3z2r2_p(d2)*f2+z_3z2r2_p(d3)*f3+z_3z2r2_p(d4)*f4+z_3z2r2_p(d5)*f5+z_3z2r2_p(d6)*f6; q2=q2*Vpcdc_p; MM(4,9)=q1+q2; q1=s_xy(-d1)*f1+s_xy(-d2)*f2+s_xy(-d3)*f3+s_xy(-d4)*f4+s_xy(-d5)*f5+s_xy(-d6)*f6; q1=q1*Vscdc_s; MM(5,1)=q1; q1=x_xy_s(-d1)*f1+x_xy_s(-d2)*f2+x_xy_s(-d3)*f3+x_xy_s(-d4)*f4+x_xy_s(-d5)*f5+x_xy_s(-d6)*f6; q1=q1*Vpcdc_s; q2=x_xy_p(-d1)*f1+x_xy_p(-d2)*f2+x_xy_p(-d3)*f3+x_xy_p(-d4)*f4+x_xy_p(-d5)*f5+x_xy_p(-d6)*f6; q2=q2*Vpcdc_p; MM(5,2)=q1+q2; q1=y_xy_s(-d1)*f1+y_xy_s(-d2)*f2+y_xy_s(-d3)*f3+y_xy_s(-d4)*f4+y_xy_s(-d5)*f5+y_xy_s(-d6)*f6; q1=q1*Vpcdc_s; q2=y_xy_p(-d1)*f1+y_xy_p(-d2)*f2+y_xy_p(-d3)*f3+y_xy_p(-d4)*f4+y_xy_p(-d5)*f5+y_xy_p(-d6)*f6; q2=q2*Vpcdc_p; MM(5,3)=q1+q2; q1=z_xy_s(-d1)*f1+z_xy_s(-d2)*f2+z_xy_s(-d3)*f3+z_xy_s(-d4)*f4+z_xy_s(-d5)*f5+z_xy_s(-d6)*f6; q1=q1*Vpcdc_s; q2=z_xy_p(-d1)*f1+z_xy_p(-d2)*f2+z_xy_p(-d3)*f3+z_xy_p(-d4)*f4+z_xy_p(-d5)*f5+z_xy_p(-d6)*f6; q2=q2*Vpcdc_p; MM(5,4)=q1+q2; q1=xy_xy_s(d1)*f1+xy_xy_s(d2)*f2+xy_xy_s(d3)*f3+xy_xy_s(d4)*f4+xy_xy_s(d5)*f5+xy_xy_s(d6)*f6; q1=q1*Vdcdc_s; q2=xy_xy_p(d1)*f1+xy_xy_p(d2)*f2+xy_xy_p(d3)*f3+xy_xy_p(d4)*f4+xy_xy_p(d5)*f5+xy_xy_p(d6)*f6; q2=q2*Vdcdc_p; q3=xy_xy_d(d1)*f1+xy_xy_d(d2)*f2+xy_xy_d(d3)*f3+xy_xy_d(d4)*f4+xy_xy_d(d5)*f5+xy_xy_d(d6)*f6; q3=q3*Vdcdc_d; MM(5,5)=q1+q2+q3+Edc; q1=xy_yz_s(d1)*f1+xy_yz_s(d2)*f2+xy_yz_s(d3)*f3+xy_yz_s(d4)*f4+xy_yz_s(d5)*f5+xy_yz_s(d6)*f6; q1=q1*Vdcdc_s; q2=xy_yz_p(d1)*f1+xy_yz_p(d2)*f2+xy_yz_p(d3)*f3+xy_yz_p(d4)*f4+xy_yz_p(d5)*f5+xy_yz_p(d6)*f6; q2=q2*Vdcdc_p; q3=xy_yz_d(d1)*f1+xy_yz_d(d2)*f2+xy_yz_d(d3)*f3+xy_yz_d(d4)*f4+xy_yz_d(d5)*f5+xy_yz_d(d6)*f6; q3=q3*Vdcdc_d; MM(5,6)=q1+q2+q3; q1=xy_xz_s(d1)*f1+xy_xz_s(d2)*f2+xy_xz_s(d3)*f3+xy_xz_s(d4)*f4+xy_xz_s(d5)*f5+xy_xz_s(d6)*f6; q1=q1*Vdcdc_s; q2=xy_xz_p(d1)*f1+xy_xz_p(d2)*f2+xy_xz_p(d3)*f3+xy_xz_p(d4)*f4+xy_xz_p(d5)*f5+xy_xz_p(d6)*f6; q2=q2*Vdcdc_p; q3=xy_xz_d(d1)*f1+xy_xz_d(d2)*f2+xy_xz_d(d3)*f3+xy_xz_d(d4)*f4+xy_xz_d(d5)*f5+xy_xz_d(d6)*f6; q3=q3*Vdcdc_d; MM(5,7)=q1+q2+q3; q1=xy_x2y2_s(d1)*f1+xy_x2y2_s(d2)*f2+xy_x2y2_s(d3)*f3+xy_x2y2_s(d4)*f4+xy_x2y2_s(d5)*f5+xy_x2y2_s(d6)*f6; q1=q1*Vdcdc_s; q2=xy_x2y2_p(d1)*f1+xy_x2y2_p(d2)*f2+xy_x2y2_p(d3)*f3+xy_x2y2_p(d4)*f4+xy_x2y2_p(d5)*f5+xy_x2y2_p(d6)*f6; q2=q2*Vdcdc_p; q3=xy_x2y2_d(d1)*f1+xy_x2y2_d(d2)*f2+xy_x2y2_d(d3)*f3+xy_x2y2_d(d4)*f4+xy_x2y2_d(d5)*f5+xy_x2y2_d(d6)*f6; q3=q3*Vdcdc_d; MM(5,8)=q1+q2+q3; q1=xy_3z2r2_s(d1)*f1+xy_3z2r2_s(d2)*f2+xy_3z2r2_s(d3)*f3+xy_3z2r2_s(d4)*f4+xy_3z2r2_s(d5)*f5+xy_3z2r2_s(d6)*f6; q1=q1*Vdcdc_s; q2=xy_3z2r2_p(d1)*f1+xy_3z2r2_p(d2)*f2+xy_3z2r2_p(d3)*f3+xy_3z2r2_p(d4)*f4+xy_3z2r2_p(d5)*f5+xy_3z2r2_p(d6)*f6; q2=q2*Vdcdc_p; q3=xy_3z2r2_d(d1)*f1+xy_3z2r2_d(d2)*f2+xy_3z2r2_d(d3)*f3+xy_3z2r2_d(d4)*f4+xy_3z2r2_d(d5)*f5+xy_3z2r2_d(d6)*f6; q3=q3*Vdcdc_d; MM(5,9)=q1+q2+q3; q1=s_yz(-d1)*f1+s_yz(-d2)*f2+s_yz(-d3)*f3+s_yz(-d4)*f4+s_yz(-d5)*f5+s_yz(-d6)*f6; q1=q1*Vscdc_s; MM(6,1)=q1; q1=x_yz_s(-d1)*f1+x_yz_s(-d2)*f2+x_yz_s(-d3)*f3+x_yz_s(-d4)*f4+x_yz_s(-d5)*f5+x_yz_s(-d6)*f6; q1=q1*Vpcdc_s; q2=x_yz_p(-d1)*f1+x_yz_p(-d2)*f2+x_yz_p(-d3)*f3+x_yz_p(-d4)*f4+x_yz_p(-d5)*f5+x_yz_p(-d6)*f6; q2=q2*Vpcdc_p; MM(6,2)=q1+q2; q1=y_yz_s(-d1)*f1+y_yz_s(-d2)*f2+y_yz_s(-d3)*f3+y_yz_s(-d4)*f4+y_yz_s(-d5)*f5+y_yz_s(-d6)*f6; q1=q1*Vpcdc_s; q2=y_yz_p(-d1)*f1+y_yz_p(-d2)*f2+y_yz_p(-d3)*f3+y_yz_p(-d4)*f4+y_yz_p(-d5)*f5+y_yz_p(-d6)*f6; q2=q2*Vpcdc_p; MM(6,3)=q1+q2; q1=z_yz_s(-d1)*f1+z_yz_s(-d2)*f2+z_yz_s(-d3)*f3+z_yz_s(-d4)*f4+z_yz_s(-d5)*f5+z_yz_s(-d6)*f6; q1=q1*Vpcdc_s; q2=z_yz_p(-d1)*f1+z_yz_p(-d2)*f2+z_yz_p(-d3)*f3+z_yz_p(-d4)*f4+z_yz_p(-d5)*f5+z_yz_p(-d6)*f6; q2=q2*Vpcdc_p; MM(6,4)=q1+q2; q1=xy_yz_s(-d1)*f1+xy_yz_s(-d2)*f2+xy_yz_s(-d3)*f3+xy_yz_s(-d4)*f4+xy_yz_s(-d5)*f5+xy_yz_s(-d6)*f6; q1=q1*Vdcdc_s; q2=xy_yz_p(-d1)*f1+xy_yz_p(-d2)*f2+xy_yz_p(-d3)*f3+xy_yz_p(-d4)*f4+xy_yz_p(-d5)*f5+xy_yz_p(-d6)*f6; q2=q2*Vdcdc_p; q3=xy_yz_d(-d1)*f1+xy_yz_d(-d2)*f2+xy_yz_d(-d3)*f3+xy_yz_d(-d4)*f4+xy_yz_d(-d5)*f5+xy_yz_d(-d6)*f6; q3=q3*Vdcdc_d; MM(6,5)=q1+q2+q3; q1=yz_yz_s(d1)*f1+yz_yz_s(d2)*f2+yz_yz_s(d3)*f3+yz_yz_s(d4)*f4+yz_yz_s(d5)*f5+yz_yz_s(d6)*f6; q1=q1*Vdcdc_s; q2=yz_yz_p(d1)*f1+yz_yz_p(d2)*f2+yz_yz_p(d3)*f3+yz_yz_p(d4)*f4+yz_yz_p(d5)*f5+yz_yz_p(d6)*f6; q2=q2*Vdcdc_p; q3=yz_yz_d(d1)*f1+yz_yz_d(d2)*f2+yz_yz_d(d3)*f3+yz_yz_d(d4)*f4+yz_yz_d(d5)*f5+yz_yz_d(d6)*f6; q3=q3*Vdcdc_d; MM(6,6)=q1+q2+q3+Edc; q1=yz_xz_s(d1)*f1+yz_xz_s(d2)*f2+yz_xz_s(d3)*f3+yz_xz_s(d4)*f4+yz_xz_s(d5)*f5+yz_xz_s(d6)*f6; q1=q1*Vdcdc_s; q2=yz_xz_p(d1)*f1+yz_xz_p(d2)*f2+yz_xz_p(d3)*f3+yz_xz_p(d4)*f4+yz_xz_p(d5)*f5+yz_xz_p(d6)*f6; q2=q2*Vdcdc_p; q3=yz_xz_d(d1)*f1+yz_xz_d(d2)*f2+yz_xz_d(d3)*f3+yz_xz_d(d4)*f4+yz_xz_d(d5)*f5+yz_xz_d(d6)*f6; q3=q3*Vdcdc_d; MM(6,7)=q1+q2+q3; q1=yz_x2y2_s(d1)*f1+yz_x2y2_s(d2)*f2+yz_x2y2_s(d3)*f3+yz_x2y2_s(d4)*f4+yz_x2y2_s(d5)*f5+yz_x2y2_s(d6)*f6; q1=q1*Vdcdc_s; q2=yz_x2y2_p(d1)*f1+yz_x2y2_p(d2)*f2+yz_x2y2_p(d3)*f3+yz_x2y2_p(d4)*f4+yz_x2y2_p(d5)*f5+yz_x2y2_p(d6)*f6; q2=q2*Vdcdc_p; q3=yz_x2y2_d(d1)*f1+yz_x2y2_d(d2)*f2+yz_x2y2_d(d3)*f3+yz_x2y2_d(d4)*f4+yz_x2y2_d(d5)*f5+yz_x2y2_d(d6)*f6; q3=q3*Vdcdc_d; MM(6,8)=q1+q2+q3; q1=yz_3z2r2_s(d1)*f1+yz_3z2r2_s(d2)*f2+yz_3z2r2_s(d3)*f3+yz_3z2r2_s(d4)*f4+yz_3z2r2_s(d5)*f5+yz_3z2r2_s(d6)*f6; q1=q1*Vdcdc_s; q2=yz_3z2r2_p(d1)*f1+yz_3z2r2_p(d2)*f2+yz_3z2r2_p(d3)*f3+yz_3z2r2_p(d4)*f4+yz_3z2r2_p(d5)*f5+yz_3z2r2_p(d6)*f6; q2=q2*Vdcdc_p; q3=yz_3z2r2_d(d1)*f1+yz_3z2r2_d(d2)*f2+yz_3z2r2_d(d3)*f3+yz_3z2r2_d(d4)*f4+yz_3z2r2_d(d5)*f5+yz_3z2r2_d(d6)*f6; q3=q3*Vdcdc_d; MM(6,9)=q1+q2+q3; q1=s_xz(-d1)*f1+s_xz(-d2)*f2+s_xz(-d3)*f3+s_xz(-d4)*f4+s_xz(-d5)*f5+s_xz(-d6)*f6; q1=q1*Vscdc_s; MM(7,1)=q1; q1=x_xz_s(-d1)*f1+x_xz_s(-d2)*f2+x_xz_s(-d3)*f3+x_xz_s(-d4)*f4+x_xz_s(-d5)*f5+x_xz_s(-d6)*f6; q1=q1*Vpcdc_s; q2=x_xz_p(-d1)*f1+x_xz_p(-d2)*f2+x_xz_p(-d3)*f3+x_xz_p(-d4)*f4+x_xz_p(-d5)*f5+x_xz_p(-d6)*f6; q2=q2*Vpcdc_p; MM(7,2)=q1+q2; q1=y_xz_s(-d1)*f1+y_xz_s(-d2)*f2+y_xz_s(-d3)*f3+y_xz_s(-d4)*f4+y_xz_s(-d5)*f5+y_xz_s(-d6)*f6; q1=q1*Vpcdc_s; q2=y_xz_p(-d1)*f1+y_xz_p(-d2)*f2+y_xz_p(-d3)*f3+y_xz_p(-d4)*f4+y_xz_p(-d5)*f5+y_xz_p(-d6)*f6; q2=q2*Vpcdc_p; MM(7,3)=q1+q2; q1=z_xz_s(-d1)*f1+z_xz_s(-d2)*f2+z_xz_s(-d3)*f3+z_xz_s(-d4)*f4+z_xz_s(-d5)*f5+z_xz_s(-d6)*f6; q1=q1*Vpcdc_s; q2=z_xz_p(-d1)*f1+z_xz_p(-d2)*f2+z_xz_p(-d3)*f3+z_xz_p(-d4)*f4+z_xz_p(-d5)*f5+z_xz_p(-d6)*f6; q2=q2*Vpcdc_p; MM(7,4)=q1+q2; q1=xy_xz_s(-d1)*f1+xy_xz_s(-d2)*f2+xy_xz_s(-d3)*f3+xy_xz_s(-d4)*f4+xy_xz_s(-d5)*f5+xy_xz_s(-d6)*f6; q1=q1*Vdcdc_s; q2=xy_xz_p(-d1)*f1+xy_xz_p(-d2)*f2+xy_xz_p(-d3)*f3+xy_xz_p(-d4)*f4+xy_xz_p(-d5)*f5+xy_xz_p(-d6)*f6; q2=q2*Vdcdc_p; q3=xy_xz_d(-d1)*f1+xy_xz_d(-d2)*f2+xy_xz_d(-d3)*f3+xy_xz_d(-d4)*f4+xy_xz_d(-d5)*f5+xy_xz_d(-d6)*f6; q3=q3*Vdcdc_d; MM(7,5)=q1+q2+q3; q1=yz_xz_s(-d1)*f1+yz_xz_s(-d2)*f2+yz_xz_s(-d3)*f3+yz_xz_s(-d4)*f4+yz_xz_s(-d5)*f5+yz_xz_s(-d6)*f6; q1=q1*Vdcdc_s; q2=yz_xz_p(-d1)*f1+yz_xz_p(-d2)*f2+yz_xz_p(-d3)*f3+yz_xz_p(-d4)*f4+yz_xz_p(-d5)*f5+yz_xz_p(-d6)*f6; q2=q2*Vdcdc_p; q3=yz_xz_d(-d1)*f1+yz_xz_d(-d2)*f2+yz_xz_d(-d3)*f3+yz_xz_d(-d4)*f4+yz_xz_d(-d5)*f5+yz_xz_d(-d6)*f6; q3=q3*Vdcdc_d; MM(7,6)=q1+q2+q3; q1=xz_xz_s(d1)*f1+xz_xz_s(d2)*f2+xz_xz_s(d3)*f3+xz_xz_s(d4)*f4+xz_xz_s(d5)*f5+xz_xz_s(d6)*f6; q1=q1*Vdcdc_s; q2=xz_xz_p(d1)*f1+xz_xz_p(d2)*f2+xz_xz_p(d3)*f3+xz_xz_p(d4)*f4+xz_xz_p(d5)*f5+xz_xz_p(d6)*f6; q2=q2*Vdcdc_p; q3=xz_xz_d(d1)*f1+xz_xz_d(d2)*f2+xz_xz_d(d3)*f3+xz_xz_d(d4)*f4+xz_xz_d(d5)*f5+xz_xz_d(d6)*f6; q3=q3*Vdcdc_d; MM(7,7)=q1+q2+q3+Edc; q1=xz_x2y2_s(d1)*f1+xz_x2y2_s(d2)*f2+xz_x2y2_s(d3)*f3+xz_x2y2_s(d4)*f4+xz_x2y2_s(d5)*f5+xz_x2y2_s(d6)*f6; q1=q1*Vdcdc_s; q2=xz_x2y2_p(d1)*f1+xz_x2y2_p(d2)*f2+xz_x2y2_p(d3)*f3+xz_x2y2_p(d4)*f4+xz_x2y2_p(d5)*f5+xz_x2y2_p(d6)*f6; q2=q2*Vdcdc_p; q3=xz_x2y2_d(d1)*f1+xz_x2y2_d(d2)*f2+xz_x2y2_d(d3)*f3+xz_x2y2_d(d4)*f4+xz_x2y2_d(d5)*f5+xz_x2y2_d(d6)*f6; q3=q3*Vdcdc_d; MM(7,8)=q1+q2+q3; q1=xz_3z2r2_s(d1)*f1+xz_3z2r2_s(d2)*f2+xz_3z2r2_s(d3)*f3+xz_3z2r2_s(d4)*f4+xz_3z2r2_s(d5)*f5+xz_3z2r2_s(d6)*f6; q1=q1*Vdcdc_s; q2=xz_3z2r2_p(d1)*f1+xz_3z2r2_p(d2)*f2+xz_3z2r2_p(d3)*f3+xz_3z2r2_p(d4)*f4+xz_3z2r2_p(d5)*f5+xz_3z2r2_p(d6)*f6; q2=q2*Vdcdc_p; q3=xz_3z2r2_d(d1)*f1+xz_3z2r2_d(d2)*f2+xz_3z2r2_d(d3)*f3+xz_3z2r2_d(d4)*f4+xz_3z2r2_d(d5)*f5+xz_3z2r2_d(d6)*f6; q3=q3*Vdcdc_d; MM(7,9)=q1+q2+q3; q1=s_x2y2(-d1)*f1+s_x2y2(-d2)*f2+s_x2y2(-d3)*f3+s_x2y2(-d4)*f4+s_x2y2(-d5)*f5+s_x2y2(-d6)*f6; q1=q1*Vscdc_s; MM(8,1)=q1; q1=x_x2y2_s(-d1)*f1+x_x2y2_s(-d2)*f2+x_x2y2_s(-d3)*f3+x_x2y2_s(-d4)*f4+x_x2y2_s(-d5)*f5+x_x2y2_s(-d6)*f6; q1=q1*Vpcdc_s; q2=x_x2y2_p(-d1)*f1+x_x2y2_p(-d2)*f2+x_x2y2_p(-d3)*f3+x_x2y2_p(-d4)*f4+x_x2y2_p(-d5)*f5+x_x2y2_p(-d6)*f6; q2=q2*Vpcdc_p; MM(8,2)=q1+q2; q1=y_x2y2_s(-d1)*f1+y_x2y2_s(-d2)*f2+y_x2y2_s(-d3)*f3+y_x2y2_s(-d4)*f4+y_x2y2_s(-d5)*f5+y_x2y2_s(-d6)*f6; q1=q1*Vpcdc_s; q2=y_x2y2_p(-d1)*f1+y_x2y2_p(-d2)*f2+y_x2y2_p(-d3)*f3+y_x2y2_p(-d4)*f4+y_x2y2_p(-d5)*f5+y_x2y2_p(-d6)*f6; q2=q2*Vpcdc_p; MM(8,3)=q1+q2; q1=z_x2y2_s(-d1)*f1+z_x2y2_s(-d2)*f2+z_x2y2_s(-d3)*f3+z_x2y2_s(-d4)*f4+z_x2y2_s(-d5)*f5+z_x2y2_s(-d6)*f6; q1=q1*Vpcdc_s; q2=z_x2y2_p(-d1)*f1+z_x2y2_p(-d2)*f2+z_x2y2_p(-d3)*f3+z_x2y2_p(-d4)*f4+z_x2y2_p(-d5)*f5+z_x2y2_p(-d6)*f6; q2=q2*Vpcdc_p; MM(8,4)=q1+q2; q1=xy_x2y2_s(-d1)*f1+xy_x2y2_s(-d2)*f2+xy_x2y2_s(-d3)*f3+xy_x2y2_s(-d4)*f4+xy_x2y2_s(-d5)*f5+xy_x2y2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=xy_x2y2_p(-d1)*f1+xy_x2y2_p(-d2)*f2+xy_x2y2_p(-d3)*f3+xy_x2y2_p(-d4)*f4+xy_x2y2_p(-d5)*f5+xy_x2y2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=xy_x2y2_d(-d1)*f1+xy_x2y2_d(-d2)*f2+xy_x2y2_d(-d3)*f3+xy_x2y2_d(-d4)*f4+xy_x2y2_d(-d5)*f5+xy_x2y2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(8,5)=q1+q2+q3; q1=yz_x2y2_s(-d1)*f1+yz_x2y2_s(-d2)*f2+yz_x2y2_s(-d3)*f3+yz_x2y2_s(-d4)*f4+yz_x2y2_s(-d5)*f5+yz_x2y2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=yz_x2y2_p(-d1)*f1+yz_x2y2_p(-d2)*f2+yz_x2y2_p(-d3)*f3+yz_x2y2_p(-d4)*f4+yz_x2y2_p(-d5)*f5+yz_x2y2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=yz_x2y2_d(-d1)*f1+yz_x2y2_d(-d2)*f2+yz_x2y2_d(-d3)*f3+yz_x2y2_d(-d4)*f4+yz_x2y2_d(-d5)*f5+yz_x2y2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(8,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1+xz_x2y2_s(-d2)*f2+xz_x2y2_s(-d3)*f3+xz_x2y2_s(-d4)*f4+xz_x2y2_s(-d5)*f5+xz_x2y2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=xz_x2y2_p(-d1)*f1+xz_x2y2_p(-d2)*f2+xz_x2y2_p(-d3)*f3+xz_x2y2_p(-d4)*f4+xz_x2y2_p(-d5)*f5+xz_x2y2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=xz_x2y2_d(-d1)*f1+xz_x2y2_d(-d2)*f2+xz_x2y2_d(-d3)*f3+xz_x2y2_d(-d4)*f4+xz_x2y2_d(-d5)*f5+xz_x2y2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(8,7)=q1+q2+q3; q1=x2y2_x2y2_s(d1)*f1+x2y2_x2y2_s(d2)*f2+x2y2_x2y2_s(d3)*f3+x2y2_x2y2_s(d4)*f4+x2y2_x2y2_s(d5)*f5+x2y2_x2y2_s(d6)*f6; q1=q1*Vdcdc_s; q2=x2y2_x2y2_p(d1)*f1+x2y2_x2y2_p(d2)*f2+x2y2_x2y2_p(d3)*f3+x2y2_x2y2_p(d4)*f4+x2y2_x2y2_p(d5)*f5+x2y2_x2y2_p(d6)*f6; q2=q2*Vdcdc_p; q3=x2y2_x2y2_d(d1)*f1+x2y2_x2y2_d(d2)*f2+x2y2_x2y2_d(d3)*f3+x2y2_x2y2_d(d4)*f4+x2y2_x2y2_d(d5)*f5+x2y2_x2y2_d(d6)*f6; q3=q3*Vdcdc_d; MM(8,8)=q1+q2+q3+Edc; q1=x2y2_3z2r2_s(d1)*f1+x2y2_3z2r2_s(d2)*f2+x2y2_3z2r2_s(d3)*f3+x2y2_3z2r2_s(d4)*f4+x2y2_3z2r2_s(d5)*f5+x2y2_3z2r2_s(d6)*f6; q1=q1*Vdcdc_s; q2=x2y2_3z2r2_p(d1)*f1+x2y2_3z2r2_p(d2)*f2+x2y2_3z2r2_p(d3)*f3+x2y2_3z2r2_p(d4)*f4+x2y2_3z2r2_p(d5)*f5+x2y2_3z2r2_p(d6)*f6; q2=q2*Vdcdc_p; q3=x2y2_3z2r2_d(d1)*f1+x2y2_3z2r2_d(d2)*f2+x2y2_3z2r2_d(d3)*f3+x2y2_3z2r2_d(d4)*f4+x2y2_3z2r2_d(d5)*f5+x2y2_3z2r2_d(d6)*f6; q3=q3*Vdcdc_d; MM(8,9)=q1+q2+q3; q1=s_3z2r2(-d1)*f1+s_3z2r2(-d2)*f2+s_3z2r2(-d3)*f3+s_3z2r2(-d4)*f4+s_3z2r2(-d5)*f5+s_3z2r2(-d6)*f6; q1=q1*Vscdc_s; MM(9,1)=q1; q1=x_3z2r2_s(-d1)*f1+x_3z2r2_s(-d2)*f2+x_3z2r2_s(-d3)*f3+x_3z2r2_s(-d4)*f4+x_3z2r2_s(-d5)*f5+x_3z2r2_s(-d6)*f6; q1=q1*Vpcdc_s; q2=x_3z2r2_p(-d1)*f1+x_3z2r2_p(-d2)*f2+x_3z2r2_p(-d3)*f3+x_3z2r2_p(-d4)*f4+x_3z2r2_p(-d5)*f5+x_3z2r2_p(-d6)*f6; q2=q2*Vpcdc_p; MM(9,2)=q1+q2; q1=y_3z2r2_s(-d1)*f1+y_3z2r2_s(-d2)*f2+y_3z2r2_s(-d3)*f3+y_3z2r2_s(-d4)*f4+y_3z2r2_s(-d5)*f5+y_3z2r2_s(-d6)*f6; q1=q1*Vpcdc_s; q2=y_3z2r2_p(-d1)*f1+y_3z2r2_p(-d2)*f2+y_3z2r2_p(-d3)*f3+y_3z2r2_p(-d4)*f4+y_3z2r2_p(-d5)*f5+y_3z2r2_p(-d6)*f6; q2=q2*Vpcdc_p; MM(9,3)=q1+q2; q1=z_3z2r2_s(-d1)*f1+z_3z2r2_s(-d2)*f2+z_3z2r2_s(-d3)*f3+z_3z2r2_s(-d4)*f4+z_3z2r2_s(-d5)*f5+z_3z2r2_s(-d6)*f6; q1=q1*Vpcdc_s; q2=z_3z2r2_p(-d1)*f1+z_3z2r2_p(-d2)*f2+z_3z2r2_p(-d3)*f3+z_3z2r2_p(-d4)*f4+z_3z2r2_p(-d5)*f5+z_3z2r2_p(-d6)*f6; q2=q2*Vpcdc_p; MM(9,4)=q1+q2; q1=xy_3z2r2_s(-d1)*f1+xy_3z2r2_s(-d2)*f2+xy_3z2r2_s(-d3)*f3+xy_3z2r2_s(-d4)*f4+xy_3z2r2_s(-d5)*f5+xy_3z2r2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=xy_3z2r2_p(-d1)*f1+xy_3z2r2_p(-d2)*f2+xy_3z2r2_p(-d3)*f3+xy_3z2r2_p(-d4)*f4+xy_3z2r2_p(-d5)*f5+xy_3z2r2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=xy_3z2r2_d(-d1)*f1+xy_3z2r2_d(-d2)*f2+xy_3z2r2_d(-d3)*f3+xy_3z2r2_d(-d4)*f4+xy_3z2r2_d(-d5)*f5+xy_3z2r2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(9,5)=q1+q2+q3; q1=yz_3z2r2_s(-d1)*f1+yz_3z2r2_s(-d2)*f2+yz_3z2r2_s(-d3)*f3+yz_3z2r2_s(-d4)*f4+yz_3z2r2_s(-d5)*f5+yz_3z2r2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=yz_3z2r2_p(-d1)*f1+yz_3z2r2_p(-d2)*f2+yz_3z2r2_p(-d3)*f3+yz_3z2r2_p(-d4)*f4+yz_3z2r2_p(-d5)*f5+yz_3z2r2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=yz_3z2r2_d(-d1)*f1+yz_3z2r2_d(-d2)*f2+yz_3z2r2_d(-d3)*f3+yz_3z2r2_d(-d4)*f4+yz_3z2r2_d(-d5)*f5+yz_3z2r2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(9,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1+xz_x2y2_s(-d2)*f2+xz_3z2r2_s(-d3)*f3+xz_3z2r2_s(-d4)*f4+xz_3z2r2_s(-d5)*f5+xz_3z2r2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=xz_x2y2_p(-d1)*f1+xz_x2y2_p(-d2)*f2+xz_3z2r2_p(-d3)*f3+xz_3z2r2_p(-d4)*f4+xz_3z2r2_p(-d5)*f5+xz_3z2r2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=xz_x2y2_d(-d1)*f1+xz_x2y2_d(-d2)*f2+xz_3z2r2_d(-d3)*f3+xz_3z2r2_d(-d4)*f4+xz_3z2r2_d(-d5)*f5+xz_3z2r2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(9,7)=q1+q2+q3; q1=x2y2_3z2r2_s(-d1)*f1+x2y2_3z2r2_s(-d2)*f2+x2y2_3z2r2_s(-d3)*f3+x2y2_3z2r2_s(-d4)*f4+x2y2_3z2r2_s(-d5)*f5+x2y2_3z2r2_s(-d6)*f6; q1=q1*Vdcdc_s; q2=x2y2_3z2r2_p(-d1)*f1+x2y2_3z2r2_p(-d2)*f2+x2y2_3z2r2_p(-d3)*f3+x2y2_3z2r2_p(-d4)*f4+x2y2_3z2r2_p(-d5)*f5+x2y2_3z2r2_p(-d6)*f6; q2=q2*Vdcdc_p; q3=x2y2_3z2r2_d(-d1)*f1+x2y2_3z2r2_d(-d2)*f2+x2y2_3z2r2_d(-d3)*f3+x2y2_3z2r2_d(-d4)*f4+x2y2_3z2r2_d(-d5)*f5+x2y2_3z2r2_d(-d6)*f6; q3=q3*Vdcdc_d; MM(9,8)=q1+q2+q3; q1=h3z2r2_3z2r2_s(d1)*f1+h3z2r2_3z2r2_s(d2)*f2+h3z2r2_3z2r2_s(d3)*f3+h3z2r2_3z2r2_s(d4)*f4+h3z2r2_3z2r2_s(d5)*f5+h3z2r2_3z2r2_s(d6)*f6; q1=q1*Vdcdc_s; q2=h3z2r2_3z2r2_p(d1)*f1+h3z2r2_3z2r2_p(d2)*f2+h3z2r2_3z2r2_p(d3)*f3+h3z2r2_3z2r2_p(d4)*f4+h3z2r2_3z2r2_p(d5)*f5+h3z2r2_3z2r2_p(d6)*f6; q2=q2*Vdcdc_p; q3=h3z2r2_3z2r2_d(d1)*f1+h3z2r2_3z2r2_d(d2)*f2+h3z2r2_3z2r2_d(d3)*f3+h3z2r2_3z2r2_d(d4)*f4+h3z2r2_3z2r2_d(d5)*f5+h3z2r2_3z2r2_d(d6)*f6; q3=q3*Vdcdc_d; MM(9,9)=q1+q2+q3+Edc; end % S_t - Mo r1=a0*[0,0,0]; r2=a0*[1/2,sqrt(3)/2,0]; r3=a0*[-1/2,sqrt(3)/2,0]; d1=a0*[0,-sqrt(3)/3,-b0/2/a0]; d2=a0*[1/2,sqrt(3)/6,-b0/2/a0]; d3=a0*[-1/2,sqrt(3)/6,-b0/2/a0]; d1=d1/norm(d1); d2=d2/norm(d2); d3=d3/norm(d3); f1=exp(1i*dot(r1,kk)); f2=exp(1i*dot(r2,kk)); f3=exp(1i*dot(r3,kk)); SM=zeros(9,9); for w=1 SM(1,1)=f1+f2+f3; SM(1,1)=SM(1,1)*Vsasc_s; SM(1,2)=s_x(d1)*f1+s_x(d2)*f2+s_x(d3)*f3; SM(1,2)=SM(1,2)*Vsapc_s; SM(1,3)=s_y(d1)*f1+s_y(d2)*f2+s_y(d3)*f3; SM(1,3)=SM(1,3)*Vsapc_s; SM(1,4)=s_z(d1)*f1+s_z(d2)*f2+s_z(d3)*f3; SM(1,4)=SM(1,4)*Vsapc_s; SM(1,5)=s_xy(d1)*f1+s_xy(d2)*f2+s_xy(d3)*f3; SM(1,5)=SM(1,5)*Vsadc_s; SM(1,6)=s_yz(d1)*f1+s_yz(d2)*f2+s_yz(d3)*f3; SM(1,6)=SM(1,6)*Vsadc_s; SM(1,7)=s_xz(d1)*f1+s_xz(d2)*f2+s_xz(d3)*f3; SM(1,7)=SM(1,7)*Vsadc_s; SM(1,8)=s_x2y2(d1)*f1+s_x2y2(d2)*f2+s_x2y2(d3)*f3; SM(1,8)=SM(1,8)*Vsadc_s; SM(1,9)=s_3z2r2(d1)*f1+s_3z2r2(d2)*f2+s_3z2r2(d3)*f3; SM(1,9)=SM(1,9)*Vsadc_s; SM(2,1)=s_x(-d1)*f1+s_x(-d2)*f2+s_x(-d3)*f3; SM(2,1)=SM(2,1)*Vscpa_s; p1=x_x_s(d1)*f1+x_x_s(d2)*f2+x_x_s(d3)*f3; p1=p1*Vpapc_s; p2=x_x_p(d1)*f1+x_x_p(d2)*f2+x_x_p(d3)*f3; p2=p2*Vpapc_p; SM(2,2)=p1+p2; p1=x_y_s(d1)*f1+x_y_s(d2)*f2+x_y_s(d3)*f3; p1=p1*Vpapc_s; p2=x_y_p(d1)*f1+x_y_p(d2)*f2+x_y_p(d3)*f3; p2=p2*Vpapc_p; SM(2,3)=p1+p2; p1=x_z_s(d1)*f1+x_z_s(d2)*f2+x_z_s(d3)*f3; p1=p1*Vpapc_s; p2=x_z_p(d1)*f1+x_z_p(d2)*f2+x_z_p(d3)*f3; p2=p2*Vpapc_p; SM(2,4)=p1+p2; q1=x_xy_s(d1)*f1+x_xy_s(d2)*f2+x_xy_s(d3)*f3; q1=q1*Vpadc_s; q2=x_xy_p(d1)*f1+x_xy_p(d2)*f2+x_xy_p(d3)*f3; q2=q2*Vpadc_p; SM(2,5)=q1+q2; q1=x_yz_s(d1)*f1+x_yz_s(d2)*f2+x_yz_s(d3)*f3; q1=q1*Vpadc_s; q2=x_yz_p(d1)*f1+x_yz_p(d2)*f2+x_yz_p(d3)*f3; q2=q2*Vpadc_p; SM(2,6)=q1+q2; q1=x_xz_s(d1)*f1+x_xz_s(d2)*f2+x_xz_s(d3)*f3; q1=q1*Vpadc_s; q2=x_xz_p(d1)*f1+x_xz_p(d2)*f2+x_xz_p(d3)*f3; q2=q2*Vpadc_p; SM(2,7)=q1+q2; q1=x_x2y2_s(d1)*f1+x_x2y2_s(d2)*f2+x_x2y2_s(d3)*f3; q1=q1*Vpadc_s; q2=x_x2y2_p(d1)*f1+x_x2y2_p(d2)*f2+x_x2y2_p(d3)*f3; q2=q2*Vpadc_p; SM(2,8)=q1+q2; q1=x_3z2r2_s(d1)*f1+x_3z2r2_s(d2)*f2+x_3z2r2_s(d3)*f3; q1=q1*Vpadc_s; q2=x_3z2r2_p(d1)*f1+x_3z2r2_p(d2)*f2+x_3z2r2_p(d3)*f3; q2=q2*Vpadc_p; SM(2,9)=q1+q2; SM(3,1)=s_y(-d1)*f1+s_y(-d2)*f2+s_y(-d3)*f3; SM(3,1)=SM(3,1)*Vscpa_s; p1=x_y_s(-d1)*f1+x_y_s(-d2)*f2+x_y_s(-d3)*f3; p1=p1*Vpapc_s; p2=x_y_p(-d1)*f1+x_y_p(-d2)*f2+x_y_p(-d3)*f3; p2=p2*Vpapc_p; SM(3,2)=p1+p2; p1=y_y_s(d1)*f1+y_y_s(d2)*f2+y_y_s(d3)*f3; p1=p1*Vpapc_s; p2=y_y_p(d1)*f1+y_y_p(d2)*f2+y_y_p(d3)*f3; p2=p2*Vpapc_p; SM(3,3)=p1+p2; p1=y_z_s(d1)*f1+y_z_s(d2)*f2+y_z_s(d3)*f3; p1=p1*Vpapc_s; p2=y_z_p(d1)*f1+y_z_p(d2)*f2+y_z_p(d3)*f3; p2=p2*Vpapc_p; SM(3,4)=p1+p2; q1=y_xy_s(d1)*f1+y_xy_s(d2)*f2+y_xy_s(d3)*f3; q1=q1*Vpadc_s; q2=y_xy_p(d1)*f1+y_xy_p(d2)*f2+y_xy_p(d3)*f3; q2=q2*Vpadc_p; SM(3,5)=q1+q2; q1=y_yz_s(d1)*f1+y_yz_s(d2)*f2+y_yz_s(d3)*f3; q1=q1*Vpadc_s; q2=y_yz_p(d1)*f1+y_yz_p(d2)*f2+y_yz_p(d3)*f3; q2=q2*Vpadc_p; SM(3,6)=q1+q2; q1=y_xz_s(d1)*f1+y_xz_s(d2)*f2+y_xz_s(d3)*f3; q1=q1*Vpadc_s; q2=y_xz_p(d1)*f1+y_xz_p(d2)*f2+y_xz_p(d3)*f3; q2=q2*Vpadc_p; SM(3,7)=q1+q2; q1=y_x2y2_s(d1)*f1+y_x2y2_s(d2)*f2+y_x2y2_s(d3)*f3; q1=q1*Vpadc_s; q2=y_x2y2_p(d1)*f1+y_x2y2_p(d2)*f2+y_x2y2_p(d3)*f3; q2=q2*Vpadc_p; SM(3,8)=q1+q2; q1=y_3z2r2_s(d1)*f1+y_3z2r2_s(d2)*f2+y_3z2r2_s(d3)*f3; q1=q1*Vpadc_s; q2=y_3z2r2_p(d1)*f1+y_3z2r2_p(d2)*f2+y_3z2r2_p(d3)*f3; q2=q2*Vpadc_p; SM(3,9)=q1+q2; SM(4,1)=s_z(-d1)*f1+s_z(-d2)*f2+s_z(-d3)*f3; SM(4,1)=SM(4,1)*Vscpa_s; p1=x_z_s(-d1)*f1+x_z_s(-d2)*f2+x_z_s(-d3)*f3; p1=p1*Vpapc_s; p2=x_z_p(-d1)*f1+x_z_p(-d2)*f2+x_z_p(-d3)*f3; p2=p2*Vpapc_p; SM(4,2)=p1+p2; p1=y_z_s(-d1)*f1+y_z_s(-d2)*f2+y_z_s(-d3)*f3; p1=p1*Vpapc_s; p2=y_z_p(-d1)*f1+y_z_p(-d2)*f2+y_z_p(-d3)*f3; p2=p2*Vpapc_p; SM(4,3)=p1+p2; p1=z_z_s(d1)*f1+z_z_s(d2)*f2+z_z_s(d3)*f3; p1=p1*Vpapc_s; p2=z_z_p(d1)*f1+z_z_p(d2)*f2+z_z_p(d3)*f3; p2=p2*Vpapc_p; SM(4,4)=p1+p2; q1=z_xy_s(d1)*f1+z_xy_s(d2)*f2+z_xy_s(d3)*f3; q1=q1*Vpadc_s; q2=z_xy_p(d1)*f1+z_xy_p(d2)*f2+z_xy_p(d3)*f3; q2=q2*Vpadc_p; SM(4,5)=q1+q2; q1=z_yz_s(d1)*f1+z_yz_s(d2)*f2+z_yz_s(d3)*f3; q1=q1*Vpadc_s; q2=z_yz_p(d1)*f1+z_yz_p(d2)*f2+z_yz_p(d3)*f3; q2=q2*Vpadc_p; SM(4,6)=q1+q2; q1=z_xz_s(d1)*f1+z_xz_s(d2)*f2+z_xz_s(d3)*f3; q1=q1*Vpadc_s; q2=z_xz_p(d1)*f1+z_xz_p(d2)*f2+z_xz_p(d3)*f3; q2=q2*Vpadc_p; SM(4,7)=q1+q2; q1=z_x2y2_s(d1)*f1+z_x2y2_s(d2)*f2+z_x2y2_s(d3)*f3; q1=q1*Vpadc_s; q2=z_x2y2_p(d1)*f1+z_x2y2_p(d2)*f2+z_x2y2_p(d3)*f3; q2=q2*Vpadc_p; SM(4,8)=q1+q2; q1=z_3z2r2_s(d1)*f1+z_3z2r2_s(d2)*f2+z_3z2r2_s(d3)*f3; q1=q1*Vpadc_s; q2=z_3z2r2_p(d1)*f1+z_3z2r2_p(d2)*f2+z_3z2r2_p(d3)*f3; q2=q2*Vpadc_p; SM(4,9)=q1+q2; SM(5,1)=s_xy(-d1)*f1+s_xy(-d2)*f2+s_xy(-d3)*f3; SM(5,1)=SM(5,1)*Vscda_s; q1=x_xy_s(-d1)*f1+x_xy_s(-d2)*f2+x_xy_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_xy_p(-d1)*f1+x_xy_p(-d2)*f2+x_xy_p(-d3)*f3; q2=q2*Vpcda_p; SM(5,2)=q1+q2; q1=y_xy_s(-d1)*f1+y_xy_s(-d2)*f2+y_xy_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_xy_p(-d1)*f1+y_xy_p(-d2)*f2+y_xy_p(-d3)*f3; q2=q2*Vpcda_p; SM(5,3)=q1+q2; q1=z_xy_s(-d1)*f1+z_xy_s(-d2)*f2+z_xy_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_xy_p(-d1)*f1+z_xy_p(-d2)*f2+z_xy_p(-d3)*f3; q2=q2*Vpcda_p; SM(5,4)=q1+q2; q1=xy_xy_s(d1)*f1+xy_xy_s(d2)*f2+xy_xy_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_xy_p(d1)*f1+xy_xy_p(d2)*f2+xy_xy_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_xy_d(d1)*f1+xy_xy_d(d2)*f2+xy_xy_d(d3)*f3; q3=q3*Vdadc_d; SM(5,5)=q1+q2+q3; q1=xy_yz_s(d1)*f1+xy_yz_s(d2)*f2+xy_yz_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_yz_p(d1)*f1+xy_yz_p(d2)*f2+xy_yz_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_yz_d(d1)*f1+xy_yz_d(d2)*f2+xy_yz_d(d3)*f3; q3=q3*Vdadc_d; SM(5,6)=q1+q2+q3; q1=xy_xz_s(d1)*f1+xy_xz_s(d2)*f2+xy_xz_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_xz_p(d1)*f1+xy_xz_p(d2)*f2+xy_xz_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_xz_d(d1)*f1+xy_xz_d(d2)*f2+xy_xz_d(d3)*f3; q3=q3*Vdadc_d; SM(5,7)=q1+q2+q3; q1=xy_x2y2_s(d1)*f1+xy_x2y2_s(d2)*f2+xy_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_x2y2_p(d1)*f1+xy_x2y2_p(d2)*f2+xy_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_x2y2_d(d1)*f1+xy_x2y2_d(d2)*f2+xy_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(5,8)=q1+q2+q3; q1=xy_3z2r2_s(d1)*f1+xy_3z2r2_s(d2)*f2+xy_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_3z2r2_p(d1)*f1+xy_3z2r2_p(d2)*f2+xy_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_3z2r2_d(d1)*f1+xy_3z2r2_d(d2)*f2+xy_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(5,9)=q1+q2+q3; SM(6,1)=s_yz(-d1)*f1+s_yz(-d2)*f2+s_yz(-d3)*f3; SM(6,1)=SM(6,1)*Vscda_s; q1=x_yz_s(-d1)*f1+x_yz_s(-d2)*f2+x_yz_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_yz_p(-d1)*f1+x_yz_p(-d2)*f2+x_yz_p(-d3)*f3; q2=q2*Vpcda_p; SM(6,2)=q1+q2; q1=y_yz_s(-d1)*f1+y_yz_s(-d2)*f2+y_yz_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_yz_p(-d1)*f1+y_yz_p(-d2)*f2+y_yz_p(-d3)*f3; q2=q2*Vpcda_p; SM(6,3)=q1+q2; q1=z_yz_s(-d1)*f1+z_yz_s(-d2)*f2+z_yz_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_yz_p(-d1)*f1+z_yz_p(-d2)*f2+z_yz_p(-d3)*f3; q2=q2*Vpcda_p; SM(6,4)=q1+q2; q1=xy_yz_s(-d1)*f1+xy_yz_s(-d2)*f2+xy_yz_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_yz_p(-d1)*f1+xy_yz_p(-d2)*f2+xy_yz_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_yz_d(-d1)*f1+xy_yz_d(-d2)*f2+xy_yz_d(-d3)*f3; q3=q3*Vdadc_d; SM(6,5)=q1+q2+q3; q1=yz_yz_s(d1)*f1+yz_yz_s(d2)*f2+yz_yz_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_yz_p(d1)*f1+yz_yz_p(d2)*f2+yz_yz_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_yz_d(d1)*f1+yz_yz_d(d2)*f2+yz_yz_d(d3)*f3; q3=q3*Vdadc_d; SM(6,6)=q1+q2+q3; q1=yz_xz_s(d1)*f1+yz_xz_s(d2)*f2+yz_xz_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_xz_p(d1)*f1+yz_xz_p(d2)*f2+yz_xz_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_xz_d(d1)*f1+yz_xz_d(d2)*f2+yz_xz_d(d3)*f3; q3=q3*Vdadc_d; SM(6,7)=q1+q2+q3; q1=yz_x2y2_s(d1)*f1+yz_x2y2_s(d2)*f2+yz_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_x2y2_p(d1)*f1+yz_x2y2_p(d2)*f2+yz_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_x2y2_d(d1)*f1+yz_x2y2_d(d2)*f2+yz_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(6,8)=q1+q2+q3; q1=yz_3z2r2_s(d1)*f1+yz_3z2r2_s(d2)*f2+yz_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_3z2r2_p(d1)*f1+yz_3z2r2_p(d2)*f2+yz_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_3z2r2_d(d1)*f1+yz_3z2r2_d(d2)*f2+yz_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(6,9)=q1+q2+q3; SM(7,1)=s_xz(-d1)*f1+s_xz(-d2)*f2+s_xz(-d3)*f3; SM(7,1)=SM(7,1)*Vscda_s; q1=x_xz_s(-d1)*f1+x_xz_s(-d2)*f2+x_xz_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_xz_p(-d1)*f1+x_xz_p(-d2)*f2+x_xz_p(-d3)*f3; q2=q2*Vpcda_p; SM(7,2)=q1+q2; q1=y_xz_s(-d1)*f1+y_xz_s(-d2)*f2+y_xz_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_xz_p(-d1)*f1+y_xz_p(-d2)*f2+y_xz_p(-d3)*f3; q2=q2*Vpcda_p; SM(7,3)=q1+q2; q1=z_xz_s(-d1)*f1+z_xz_s(-d2)*f2+z_xz_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_xz_p(-d1)*f1+z_xz_p(-d2)*f2+z_xz_p(-d3)*f3; q2=q2*Vpcda_p; SM(7,4)=q1+q2; q1=xy_xz_s(-d1)*f1+xy_xz_s(-d2)*f2+xy_xz_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_xz_p(-d1)*f1+xy_xz_p(-d2)*f2+xy_xz_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_xz_d(-d1)*f1+xy_xz_d(-d2)*f2+xy_xz_d(-d3)*f3; q3=q3*Vdadc_d; SM(7,5)=q1+q2+q3; q1=yz_xz_s(-d1)*f1+yz_xz_s(-d2)*f2+yz_xz_s(-d3)*f3; q1=q1*Vdadc_s; q2=yz_xz_p(-d1)*f1+yz_xz_p(-d2)*f2+yz_xz_p(-d3)*f3; q2=q2*Vdadc_p; q3=yz_xz_d(-d1)*f1+yz_xz_d(-d2)*f2+yz_xz_d(-d3)*f3; q3=q3*Vdadc_d; SM(7,6)=q1+q2+q3; q1=xz_xz_s(d1)*f1+xz_xz_s(d2)*f2+xz_xz_s(d3)*f3; q1=q1*Vdadc_s; q2=xz_xz_p(d1)*f1+xz_xz_p(d2)*f2+xz_xz_p(d3)*f3; q2=q2*Vdadc_p; q3=xz_xz_d(d1)*f1+xz_xz_d(d2)*f2+xz_xz_d(d3)*f3; q3=q3*Vdadc_d; SM(7,7)=q1+q2+q3; q1=xz_x2y2_s(d1)*f1+xz_x2y2_s(d2)*f2+xz_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=xz_x2y2_p(d1)*f1+xz_x2y2_p(d2)*f2+xz_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=xz_x2y2_d(d1)*f1+xz_x2y2_d(d2)*f2+xz_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(7,8)=q1+q2+q3; q1=xz_3z2r2_s(d1)*f1+xz_3z2r2_s(d2)*f2+xz_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=xz_3z2r2_p(d1)*f1+xz_3z2r2_p(d2)*f2+xz_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=xz_3z2r2_d(d1)*f1+xz_3z2r2_d(d2)*f2+xz_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(7,9)=q1+q2+q3; SM(8,1)=s_x2y2(-d1)*f1+s_x2y2(-d2)*f2+s_x2y2(-d3)*f3; SM(8,1)=SM(8,1)*Vscda_s; q1=x_x2y2_s(-d1)*f1+x_x2y2_s(-d2)*f2+x_x2y2_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_x2y2_p(-d1)*f1+x_x2y2_p(-d2)*f2+x_x2y2_p(-d3)*f3; q2=q2*Vpcda_p; SM(8,2)=q1+q2; q1=y_x2y2_s(-d1)*f1+y_x2y2_s(-d2)*f2+y_x2y2_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_x2y2_p(-d1)*f1+y_x2y2_p(-d2)*f2+y_x2y2_p(-d3)*f3; q2=q2*Vpcda_p; SM(8,3)=q1+q2; q1=z_x2y2_s(-d1)*f1+z_x2y2_s(-d2)*f2+z_x2y2_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_x2y2_p(-d1)*f1+z_x2y2_p(-d2)*f2+z_x2y2_p(-d3)*f3; q2=q2*Vpcda_p; SM(8,4)=q1+q2; q1=xy_x2y2_s(-d1)*f1+xy_x2y2_s(-d2)*f2+xy_x2y2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_x2y2_p(-d1)*f1+xy_x2y2_p(-d2)*f2+xy_x2y2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_x2y2_d(-d1)*f1+xy_x2y2_d(-d2)*f2+xy_x2y2_d(-d3)*f3; q3=q3*Vdadc_d; SM(8,5)=q1+q2+q3; q1=yz_x2y2_s(-d1)*f1+yz_x2y2_s(-d2)*f2+yz_x2y2_s(-d3)*f3; q1=q1*Vdadc_s; q2=yz_x2y2_p(-d1)*f1+yz_x2y2_p(-d2)*f2+yz_x2y2_p(-d3)*f3; q2=q2*Vdadc_p; q3=yz_x2y2_d(-d1)*f1+yz_x2y2_d(-d2)*f2+yz_x2y2_d(-d3)*f3; q3=q3*Vdadc_d; SM(8,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1+xz_x2y2_s(-d2)*f2+xz_x2y2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xz_x2y2_p(-d1)*f1+xz_x2y2_p(-d2)*f2+xz_x2y2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xz_x2y2_d(-d1)*f1+xz_x2y2_d(-d2)*f2+xz_x2y2_d(-d3)*f3; q3=q3*Vdadc_d; SM(8,7)=q1+q2+q3; q1=x2y2_x2y2_s(d1)*f1+x2y2_x2y2_s(d2)*f2+x2y2_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=x2y2_x2y2_p(d1)*f1+x2y2_x2y2_p(d2)*f2+x2y2_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=x2y2_x2y2_d(d1)*f1+x2y2_x2y2_d(d2)*f2+x2y2_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(8,8)=q1+q2+q3; q1=x2y2_3z2r2_s(d1)*f1+x2y2_3z2r2_s(d2)*f2+x2y2_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=x2y2_3z2r2_p(d1)*f1+x2y2_3z2r2_p(d2)*f2+x2y2_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=x2y2_3z2r2_d(d1)*f1+x2y2_3z2r2_d(d2)*f2+x2y2_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(8,9)=q1+q2+q3; SM(9,1)=s_3z2r2(-d1)*f1+s_3z2r2(-d2)*f2+s_3z2r2(-d3)*f3; SM(9,1)=SM(9,1)*Vscda_s; q1=x_3z2r2_s(-d1)*f1+x_3z2r2_s(-d2)*f2+x_3z2r2_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_3z2r2_p(-d1)*f1+x_3z2r2_p(-d2)*f2+x_3z2r2_p(-d3)*f3; q2=q2*Vpcda_p; SM(9,2)=q1+q2; q1=y_3z2r2_s(-d1)*f1+y_3z2r2_s(-d2)*f2+y_3z2r2_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_3z2r2_p(-d1)*f1+y_3z2r2_p(-d2)*f2+y_3z2r2_p(-d3)*f3; q2=q2*Vpcda_p; SM(9,3)=q1+q2; q1=z_3z2r2_s(-d1)*f1+z_3z2r2_s(-d2)*f2+z_3z2r2_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_3z2r2_p(-d1)*f1+z_3z2r2_p(-d2)*f2+z_3z2r2_p(-d3)*f3; q2=q2*Vpcda_p; SM(9,4)=q1+q2; q1=xy_3z2r2_s(-d1)*f1+xy_3z2r2_s(-d2)*f2+xy_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_3z2r2_p(-d1)*f1+xy_3z2r2_p(-d2)*f2+xy_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_3z2r2_d(-d1)*f1+xy_3z2r2_d(-d2)*f2+xy_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,5)=q1+q2+q3; q1=yz_3z2r2_s(-d1)*f1+yz_3z2r2_s(-d2)*f2+yz_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=yz_3z2r2_p(-d1)*f1+yz_3z2r2_p(-d2)*f2+yz_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=yz_3z2r2_d(-d1)*f1+yz_3z2r2_d(-d2)*f2+yz_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,6)=q1+q2+q3; q1=xz_3z2r2_s(-d1)*f1+xz_3z2r2_s(-d2)*f2+xz_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xz_3z2r2_p(-d1)*f1+xz_3z2r2_p(-d2)*f2+xz_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xz_3z2r2_d(-d1)*f1+xz_3z2r2_d(-d2)*f2+xz_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,7)=q1+q2+q3; q1=x2y2_3z2r2_s(-d1)*f1+x2y2_3z2r2_s(-d2)*f2+x2y2_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=x2y2_3z2r2_p(-d1)*f1+x2y2_3z2r2_p(-d2)*f2+x2y2_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=x2y2_3z2r2_d(-d1)*f1+x2y2_3z2r2_d(-d2)*f2+x2y2_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,8)=q1+q2+q3; q1=h3z2r2_3z2r2_s(d1)*f1+h3z2r2_3z2r2_s(d2)*f2+h3z2r2_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=h3z2r2_3z2r2_p(d1)*f1+h3z2r2_3z2r2_p(d2)*f2+h3z2r2_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=h3z2r2_3z2r2_d(d1)*f1+h3z2r2_3z2r2_d(d2)*f2+h3z2r2_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(9,9)=q1+q2+q3; end StM=SM; % S_b - Mo r1=a0*[0,0,0]; r2=a0*[1/2,sqrt(3)/2,0]; r3=a0*[-1/2,sqrt(3)/2,0]; d1=a0*[0,-sqrt(3)/3,b0/2/a0]; d2=a0*[1/2,sqrt(3)/6,b0/2/a0]; d3=a0*[-1/2,sqrt(3)/6,b0/2/a0]; d1=d1/norm(d1); d2=d2/norm(d2); d3=d3/norm(d3); f1=exp(1i*dot(r1,kk)); f2=exp(1i*dot(r2,kk)); f3=exp(1i*dot(r3,kk)); SM=zeros(9,9); for w=1 SM(1,1)=f1+f2+f3; SM(1,1)=SM(1,1)*Vsasc_s; SM(1,2)=s_x(d1)*f1+s_x(d2)*f2+s_x(d3)*f3; SM(1,2)=SM(1,2)*Vsapc_s; SM(1,3)=s_y(d1)*f1+s_y(d2)*f2+s_y(d3)*f3; SM(1,3)=SM(1,3)*Vsapc_s; SM(1,4)=s_z(d1)*f1+s_z(d2)*f2+s_z(d3)*f3; SM(1,4)=SM(1,4)*Vsapc_s; SM(1,5)=s_xy(d1)*f1+s_xy(d2)*f2+s_xy(d3)*f3; SM(1,5)=SM(1,5)*Vsadc_s; SM(1,6)=s_yz(d1)*f1+s_yz(d2)*f2+s_yz(d3)*f3; SM(1,6)=SM(1,6)*Vsadc_s; SM(1,7)=s_xz(d1)*f1+s_xz(d2)*f2+s_xz(d3)*f3; SM(1,7)=SM(1,7)*Vsadc_s; SM(1,8)=s_x2y2(d1)*f1+s_x2y2(d2)*f2+s_x2y2(d3)*f3; SM(1,8)=SM(1,8)*Vsadc_s; SM(1,9)=s_3z2r2(d1)*f1+s_3z2r2(d2)*f2+s_3z2r2(d3)*f3; SM(1,9)=SM(1,9)*Vsadc_s; SM(2,1)=s_x(-d1)*f1+s_x(-d2)*f2+s_x(-d3)*f3; SM(2,1)=SM(2,1)*Vscpa_s; p1=x_x_s(d1)*f1+x_x_s(d2)*f2+x_x_s(d3)*f3; p1=p1*Vpapc_s; p2=x_x_p(d1)*f1+x_x_p(d2)*f2+x_x_p(d3)*f3; p2=p2*Vpapc_p; SM(2,2)=p1+p2; p1=x_y_s(d1)*f1+x_y_s(d2)*f2+x_y_s(d3)*f3; p1=p1*Vpapc_s; p2=x_y_p(d1)*f1+x_y_p(d2)*f2+x_y_p(d3)*f3; p2=p2*Vpapc_p; SM(2,3)=p1+p2; p1=x_z_s(d1)*f1+x_z_s(d2)*f2+x_z_s(d3)*f3; p1=p1*Vpapc_s; p2=x_z_p(d1)*f1+x_z_p(d2)*f2+x_z_p(d3)*f3; p2=p2*Vpapc_p; SM(2,4)=p1+p2; q1=x_xy_s(d1)*f1+x_xy_s(d2)*f2+x_xy_s(d3)*f3; q1=q1*Vpadc_s; q2=x_xy_p(d1)*f1+x_xy_p(d2)*f2+x_xy_p(d3)*f3; q2=q2*Vpadc_p; SM(2,5)=q1+q2; q1=x_yz_s(d1)*f1+x_yz_s(d2)*f2+x_yz_s(d3)*f3; q1=q1*Vpadc_s; q2=x_yz_p(d1)*f1+x_yz_p(d2)*f2+x_yz_p(d3)*f3; q2=q2*Vpadc_p; SM(2,6)=q1+q2; q1=x_xz_s(d1)*f1+x_xz_s(d2)*f2+x_xz_s(d3)*f3; q1=q1*Vpadc_s; q2=x_xz_p(d1)*f1+x_xz_p(d2)*f2+x_xz_p(d3)*f3; q2=q2*Vpadc_p; SM(2,7)=q1+q2; q1=x_x2y2_s(d1)*f1+x_x2y2_s(d2)*f2+x_x2y2_s(d3)*f3; q1=q1*Vpadc_s; q2=x_x2y2_p(d1)*f1+x_x2y2_p(d2)*f2+x_x2y2_p(d3)*f3; q2=q2*Vpadc_p; SM(2,8)=q1+q2; q1=x_3z2r2_s(d1)*f1+x_3z2r2_s(d2)*f2+x_3z2r2_s(d3)*f3; q1=q1*Vpadc_s; q2=x_3z2r2_p(d1)*f1+x_3z2r2_p(d2)*f2+x_3z2r2_p(d3)*f3; q2=q2*Vpadc_p; SM(2,9)=q1+q2; SM(3,1)=s_y(-d1)*f1+s_y(-d2)*f2+s_y(-d3)*f3; SM(3,1)=SM(3,1)*Vscpa_s; p1=x_y_s(-d1)*f1+x_y_s(-d2)*f2+x_y_s(-d3)*f3; p1=p1*Vpapc_s; p2=x_y_p(-d1)*f1+x_y_p(-d2)*f2+x_y_p(-d3)*f3; p2=p2*Vpapc_p; SM(3,2)=p1+p2; p1=y_y_s(d1)*f1+y_y_s(d2)*f2+y_y_s(d3)*f3; p1=p1*Vpapc_s; p2=y_y_p(d1)*f1+y_y_p(d2)*f2+y_y_p(d3)*f3; p2=p2*Vpapc_p; SM(3,3)=p1+p2; p1=y_z_s(d1)*f1+y_z_s(d2)*f2+y_z_s(d3)*f3; p1=p1*Vpapc_s; p2=y_z_p(d1)*f1+y_z_p(d2)*f2+y_z_p(d3)*f3; p2=p2*Vpapc_p; SM(3,4)=p1+p2; q1=y_xy_s(d1)*f1+y_xy_s(d2)*f2+y_xy_s(d3)*f3; q1=q1*Vpadc_s; q2=y_xy_p(d1)*f1+y_xy_p(d2)*f2+y_xy_p(d3)*f3; q2=q2*Vpadc_p; SM(3,5)=q1+q2; q1=y_yz_s(d1)*f1+y_yz_s(d2)*f2+y_yz_s(d3)*f3; q1=q1*Vpadc_s; q2=y_yz_p(d1)*f1+y_yz_p(d2)*f2+y_yz_p(d3)*f3; q2=q2*Vpadc_p; SM(3,6)=q1+q2; q1=y_xz_s(d1)*f1+y_xz_s(d2)*f2+y_xz_s(d3)*f3; q1=q1*Vpadc_s; q2=y_xz_p(d1)*f1+y_xz_p(d2)*f2+y_xz_p(d3)*f3; q2=q2*Vpadc_p; SM(3,7)=q1+q2; q1=y_x2y2_s(d1)*f1+y_x2y2_s(d2)*f2+y_x2y2_s(d3)*f3; q1=q1*Vpadc_s; q2=y_x2y2_p(d1)*f1+y_x2y2_p(d2)*f2+y_x2y2_p(d3)*f3; q2=q2*Vpadc_p; SM(3,8)=q1+q2; q1=y_3z2r2_s(d1)*f1+y_3z2r2_s(d2)*f2+y_3z2r2_s(d3)*f3; q1=q1*Vpadc_s; q2=y_3z2r2_p(d1)*f1+y_3z2r2_p(d2)*f2+y_3z2r2_p(d3)*f3; q2=q2*Vpadc_p; SM(3,9)=q1+q2; SM(4,1)=s_z(-d1)*f1+s_z(-d2)*f2+s_z(-d3)*f3; SM(4,1)=SM(4,1)*Vscpa_s; p1=x_z_s(-d1)*f1+x_z_s(-d2)*f2+x_z_s(-d3)*f3; p1=p1*Vpapc_s; p2=x_z_p(-d1)*f1+x_z_p(-d2)*f2+x_z_p(-d3)*f3; p2=p2*Vpapc_p; SM(4,2)=p1+p2; p1=y_z_s(-d1)*f1+y_z_s(-d2)*f2+y_z_s(-d3)*f3; p1=p1*Vpapc_s; p2=y_z_p(-d1)*f1+y_z_p(-d2)*f2+y_z_p(-d3)*f3; p2=p2*Vpapc_p; SM(4,3)=p1+p2; p1=z_z_s(d1)*f1+z_z_s(d2)*f2+z_z_s(d3)*f3; p1=p1*Vpapc_s; p2=z_z_p(d1)*f1+z_z_p(d2)*f2+z_z_p(d3)*f3; p2=p2*Vpapc_p; SM(4,4)=p1+p2; q1=z_xy_s(d1)*f1+z_xy_s(d2)*f2+z_xy_s(d3)*f3; q1=q1*Vpadc_s; q2=z_xy_p(d1)*f1+z_xy_p(d2)*f2+z_xy_p(d3)*f3; q2=q2*Vpadc_p; SM(4,5)=q1+q2; q1=z_yz_s(d1)*f1+z_yz_s(d2)*f2+z_yz_s(d3)*f3; q1=q1*Vpadc_s; q2=z_yz_p(d1)*f1+z_yz_p(d2)*f2+z_yz_p(d3)*f3; q2=q2*Vpadc_p; SM(4,6)=q1+q2; q1=z_xz_s(d1)*f1+z_xz_s(d2)*f2+z_xz_s(d3)*f3; q1=q1*Vpadc_s; q2=z_xz_p(d1)*f1+z_xz_p(d2)*f2+z_xz_p(d3)*f3; q2=q2*Vpadc_p; SM(4,7)=q1+q2; q1=z_x2y2_s(d1)*f1+z_x2y2_s(d2)*f2+z_x2y2_s(d3)*f3; q1=q1*Vpadc_s; q2=z_x2y2_p(d1)*f1+z_x2y2_p(d2)*f2+z_x2y2_p(d3)*f3; q2=q2*Vpadc_p; SM(4,8)=q1+q2; q1=z_3z2r2_s(d1)*f1+z_3z2r2_s(d2)*f2+z_3z2r2_s(d3)*f3; q1=q1*Vpadc_s; q2=z_3z2r2_p(d1)*f1+z_3z2r2_p(d2)*f2+z_3z2r2_p(d3)*f3; q2=q2*Vpadc_p; SM(4,9)=q1+q2; SM(5,1)=s_xy(-d1)*f1+s_xy(-d2)*f2+s_xy(-d3)*f3; SM(5,1)=SM(5,1)*Vscda_s; q1=x_xy_s(-d1)*f1+x_xy_s(-d2)*f2+x_xy_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_xy_p(-d1)*f1+x_xy_p(-d2)*f2+x_xy_p(-d3)*f3; q2=q2*Vpcda_p; SM(5,2)=q1+q2; q1=y_xy_s(-d1)*f1+y_xy_s(-d2)*f2+y_xy_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_xy_p(-d1)*f1+y_xy_p(-d2)*f2+y_xy_p(-d3)*f3; q2=q2*Vpcda_p; SM(5,3)=q1+q2; q1=z_xy_s(-d1)*f1+z_xy_s(-d2)*f2+z_xy_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_xy_p(-d1)*f1+z_xy_p(-d2)*f2+z_xy_p(-d3)*f3; q2=q2*Vpcda_p; SM(5,4)=q1+q2; q1=xy_xy_s(d1)*f1+xy_xy_s(d2)*f2+xy_xy_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_xy_p(d1)*f1+xy_xy_p(d2)*f2+xy_xy_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_xy_d(d1)*f1+xy_xy_d(d2)*f2+xy_xy_d(d3)*f3; q3=q3*Vdadc_d; SM(5,5)=q1+q2+q3; q1=xy_yz_s(d1)*f1+xy_yz_s(d2)*f2+xy_yz_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_yz_p(d1)*f1+xy_yz_p(d2)*f2+xy_yz_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_yz_d(d1)*f1+xy_yz_d(d2)*f2+xy_yz_d(d3)*f3; q3=q3*Vdadc_d; SM(5,6)=q1+q2+q3; q1=xy_xz_s(d1)*f1+xy_xz_s(d2)*f2+xy_xz_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_xz_p(d1)*f1+xy_xz_p(d2)*f2+xy_xz_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_xz_d(d1)*f1+xy_xz_d(d2)*f2+xy_xz_d(d3)*f3; q3=q3*Vdadc_d; SM(5,7)=q1+q2+q3; q1=xy_x2y2_s(d1)*f1+xy_x2y2_s(d2)*f2+xy_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_x2y2_p(d1)*f1+xy_x2y2_p(d2)*f2+xy_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_x2y2_d(d1)*f1+xy_x2y2_d(d2)*f2+xy_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(5,8)=q1+q2+q3; q1=xy_3z2r2_s(d1)*f1+xy_3z2r2_s(d2)*f2+xy_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=xy_3z2r2_p(d1)*f1+xy_3z2r2_p(d2)*f2+xy_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=xy_3z2r2_d(d1)*f1+xy_3z2r2_d(d2)*f2+xy_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(5,9)=q1+q2+q3; SM(6,1)=s_yz(-d1)*f1+s_yz(-d2)*f2+s_yz(-d3)*f3; SM(6,1)=SM(6,1)*Vscda_s; q1=x_yz_s(-d1)*f1+x_yz_s(-d2)*f2+x_yz_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_yz_p(-d1)*f1+x_yz_p(-d2)*f2+x_yz_p(-d3)*f3; q2=q2*Vpcda_p; SM(6,2)=q1+q2; q1=y_yz_s(-d1)*f1+y_yz_s(-d2)*f2+y_yz_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_yz_p(-d1)*f1+y_yz_p(-d2)*f2+y_yz_p(-d3)*f3; q2=q2*Vpcda_p; SM(6,3)=q1+q2; q1=z_yz_s(-d1)*f1+z_yz_s(-d2)*f2+z_yz_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_yz_p(-d1)*f1+z_yz_p(-d2)*f2+z_yz_p(-d3)*f3; q2=q2*Vpcda_p; SM(6,4)=q1+q2; q1=xy_yz_s(-d1)*f1+xy_yz_s(-d2)*f2+xy_yz_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_yz_p(-d1)*f1+xy_yz_p(-d2)*f2+xy_yz_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_yz_d(-d1)*f1+xy_yz_d(-d2)*f2+xy_yz_d(-d3)*f3; q3=q3*Vdadc_d; SM(6,5)=q1+q2+q3; q1=yz_yz_s(d1)*f1+yz_yz_s(d2)*f2+yz_yz_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_yz_p(d1)*f1+yz_yz_p(d2)*f2+yz_yz_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_yz_d(d1)*f1+yz_yz_d(d2)*f2+yz_yz_d(d3)*f3; q3=q3*Vdadc_d; SM(6,6)=q1+q2+q3; q1=yz_xz_s(d1)*f1+yz_xz_s(d2)*f2+yz_xz_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_xz_p(d1)*f1+yz_xz_p(d2)*f2+yz_xz_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_xz_d(d1)*f1+yz_xz_d(d2)*f2+yz_xz_d(d3)*f3; q3=q3*Vdadc_d; SM(6,7)=q1+q2+q3; q1=yz_x2y2_s(d1)*f1+yz_x2y2_s(d2)*f2+yz_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_x2y2_p(d1)*f1+yz_x2y2_p(d2)*f2+yz_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_x2y2_d(d1)*f1+yz_x2y2_d(d2)*f2+yz_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(6,8)=q1+q2+q3; q1=yz_3z2r2_s(d1)*f1+yz_3z2r2_s(d2)*f2+yz_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=yz_3z2r2_p(d1)*f1+yz_3z2r2_p(d2)*f2+yz_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=yz_3z2r2_d(d1)*f1+yz_3z2r2_d(d2)*f2+yz_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(6,9)=q1+q2+q3; SM(7,1)=s_xz(-d1)*f1+s_xz(-d2)*f2+s_xz(-d3)*f3; SM(7,1)=SM(7,1)*Vscda_s; q1=x_xz_s(-d1)*f1+x_xz_s(-d2)*f2+x_xz_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_xz_p(-d1)*f1+x_xz_p(-d2)*f2+x_xz_p(-d3)*f3; q2=q2*Vpcda_p; SM(7,2)=q1+q2; q1=y_xz_s(-d1)*f1+y_xz_s(-d2)*f2+y_xz_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_xz_p(-d1)*f1+y_xz_p(-d2)*f2+y_xz_p(-d3)*f3; q2=q2*Vpcda_p; SM(7,3)=q1+q2; q1=z_xz_s(-d1)*f1+z_xz_s(-d2)*f2+z_xz_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_xz_p(-d1)*f1+z_xz_p(-d2)*f2+z_xz_p(-d3)*f3; q2=q2*Vpcda_p; SM(7,4)=q1+q2; q1=xy_xz_s(-d1)*f1+xy_xz_s(-d2)*f2+xy_xz_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_xz_p(-d1)*f1+xy_xz_p(-d2)*f2+xy_xz_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_xz_d(-d1)*f1+xy_xz_d(-d2)*f2+xy_xz_d(-d3)*f3; q3=q3*Vdadc_d; SM(7,5)=q1+q2+q3; q1=yz_xz_s(-d1)*f1+yz_xz_s(-d2)*f2+yz_xz_s(-d3)*f3; q1=q1*Vdadc_s; q2=yz_xz_p(-d1)*f1+yz_xz_p(-d2)*f2+yz_xz_p(-d3)*f3; q2=q2*Vdadc_p; q3=yz_xz_d(-d1)*f1+yz_xz_d(-d2)*f2+yz_xz_d(-d3)*f3; q3=q3*Vdadc_d; SM(7,6)=q1+q2+q3; q1=xz_xz_s(d1)*f1+xz_xz_s(d2)*f2+xz_xz_s(d3)*f3; q1=q1*Vdadc_s; q2=xz_xz_p(d1)*f1+xz_xz_p(d2)*f2+xz_xz_p(d3)*f3; q2=q2*Vdadc_p; q3=xz_xz_d(d1)*f1+xz_xz_d(d2)*f2+xz_xz_d(d3)*f3; q3=q3*Vdadc_d; SM(7,7)=q1+q2+q3; q1=xz_x2y2_s(d1)*f1+xz_x2y2_s(d2)*f2+xz_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=xz_x2y2_p(d1)*f1+xz_x2y2_p(d2)*f2+xz_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=xz_x2y2_d(d1)*f1+xz_x2y2_d(d2)*f2+xz_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(7,8)=q1+q2+q3; q1=xz_3z2r2_s(d1)*f1+xz_3z2r2_s(d2)*f2+xz_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=xz_3z2r2_p(d1)*f1+xz_3z2r2_p(d2)*f2+xz_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=xz_3z2r2_d(d1)*f1+xz_3z2r2_d(d2)*f2+xz_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(7,9)=q1+q2+q3; SM(8,1)=s_x2y2(-d1)*f1+s_x2y2(-d2)*f2+s_x2y2(-d3)*f3; SM(8,1)=SM(8,1)*Vscda_s; q1=x_x2y2_s(-d1)*f1+x_x2y2_s(-d2)*f2+x_x2y2_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_x2y2_p(-d1)*f1+x_x2y2_p(-d2)*f2+x_x2y2_p(-d3)*f3; q2=q2*Vpcda_p; SM(8,2)=q1+q2; q1=y_x2y2_s(-d1)*f1+y_x2y2_s(-d2)*f2+y_x2y2_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_x2y2_p(-d1)*f1+y_x2y2_p(-d2)*f2+y_x2y2_p(-d3)*f3; q2=q2*Vpcda_p; SM(8,3)=q1+q2; q1=z_x2y2_s(-d1)*f1+z_x2y2_s(-d2)*f2+z_x2y2_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_x2y2_p(-d1)*f1+z_x2y2_p(-d2)*f2+z_x2y2_p(-d3)*f3; q2=q2*Vpcda_p; SM(8,4)=q1+q2; q1=xy_x2y2_s(-d1)*f1+xy_x2y2_s(-d2)*f2+xy_x2y2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_x2y2_p(-d1)*f1+xy_x2y2_p(-d2)*f2+xy_x2y2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_x2y2_d(-d1)*f1+xy_x2y2_d(-d2)*f2+xy_x2y2_d(-d3)*f3; q3=q3*Vdadc_d; SM(8,5)=q1+q2+q3; q1=yz_x2y2_s(-d1)*f1+yz_x2y2_s(-d2)*f2+yz_x2y2_s(-d3)*f3; q1=q1*Vdadc_s; q2=yz_x2y2_p(-d1)*f1+yz_x2y2_p(-d2)*f2+yz_x2y2_p(-d3)*f3; q2=q2*Vdadc_p; q3=yz_x2y2_d(-d1)*f1+yz_x2y2_d(-d2)*f2+yz_x2y2_d(-d3)*f3; q3=q3*Vdadc_d; SM(8,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1+xz_x2y2_s(-d2)*f2+xz_x2y2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xz_x2y2_p(-d1)*f1+xz_x2y2_p(-d2)*f2+xz_x2y2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xz_x2y2_d(-d1)*f1+xz_x2y2_d(-d2)*f2+xz_x2y2_d(-d3)*f3; q3=q3*Vdadc_d; SM(8,7)=q1+q2+q3; q1=x2y2_x2y2_s(d1)*f1+x2y2_x2y2_s(d2)*f2+x2y2_x2y2_s(d3)*f3; q1=q1*Vdadc_s; q2=x2y2_x2y2_p(d1)*f1+x2y2_x2y2_p(d2)*f2+x2y2_x2y2_p(d3)*f3; q2=q2*Vdadc_p; q3=x2y2_x2y2_d(d1)*f1+x2y2_x2y2_d(d2)*f2+x2y2_x2y2_d(d3)*f3; q3=q3*Vdadc_d; SM(8,8)=q1+q2+q3; q1=x2y2_3z2r2_s(d1)*f1+x2y2_3z2r2_s(d2)*f2+x2y2_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=x2y2_3z2r2_p(d1)*f1+x2y2_3z2r2_p(d2)*f2+x2y2_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=x2y2_3z2r2_d(d1)*f1+x2y2_3z2r2_d(d2)*f2+x2y2_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(8,9)=q1+q2+q3; SM(9,1)=s_3z2r2(-d1)*f1+s_3z2r2(-d2)*f2+s_3z2r2(-d3)*f3; SM(9,1)=SM(9,1)*Vscda_s; q1=x_3z2r2_s(-d1)*f1+x_3z2r2_s(-d2)*f2+x_3z2r2_s(-d3)*f3; q1=q1*Vpcda_s; q2=x_3z2r2_p(-d1)*f1+x_3z2r2_p(-d2)*f2+x_3z2r2_p(-d3)*f3; q2=q2*Vpcda_p; SM(9,2)=q1+q2; q1=y_3z2r2_s(-d1)*f1+y_3z2r2_s(-d2)*f2+y_3z2r2_s(-d3)*f3; q1=q1*Vpcda_s; q2=y_3z2r2_p(-d1)*f1+y_3z2r2_p(-d2)*f2+y_3z2r2_p(-d3)*f3; q2=q2*Vpcda_p; SM(9,3)=q1+q2; q1=z_3z2r2_s(-d1)*f1+z_3z2r2_s(-d2)*f2+z_3z2r2_s(-d3)*f3; q1=q1*Vpcda_s; q2=z_3z2r2_p(-d1)*f1+z_3z2r2_p(-d2)*f2+z_3z2r2_p(-d3)*f3; q2=q2*Vpcda_p; SM(9,4)=q1+q2; q1=xy_3z2r2_s(-d1)*f1+xy_3z2r2_s(-d2)*f2+xy_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xy_3z2r2_p(-d1)*f1+xy_3z2r2_p(-d2)*f2+xy_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xy_3z2r2_d(-d1)*f1+xy_3z2r2_d(-d2)*f2+xy_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,5)=q1+q2+q3; q1=yz_3z2r2_s(-d1)*f1+yz_3z2r2_s(-d2)*f2+yz_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=yz_3z2r2_p(-d1)*f1+yz_3z2r2_p(-d2)*f2+yz_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=yz_3z2r2_d(-d1)*f1+yz_3z2r2_d(-d2)*f2+yz_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,6)=q1+q2+q3; q1=xz_3z2r2_s(-d1)*f1+xz_3z2r2_s(-d2)*f2+xz_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=xz_3z2r2_p(-d1)*f1+xz_3z2r2_p(-d2)*f2+xz_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=xz_3z2r2_d(-d1)*f1+xz_3z2r2_d(-d2)*f2+xz_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,7)=q1+q2+q3; q1=x2y2_3z2r2_s(-d1)*f1+x2y2_3z2r2_s(-d2)*f2+x2y2_3z2r2_s(-d3)*f3; q1=q1*Vdadc_s; q2=x2y2_3z2r2_p(-d1)*f1+x2y2_3z2r2_p(-d2)*f2+x2y2_3z2r2_p(-d3)*f3; q2=q2*Vdadc_p; q3=x2y2_3z2r2_d(-d1)*f1+x2y2_3z2r2_d(-d2)*f2+x2y2_3z2r2_d(-d3)*f3; q3=q3*Vdadc_d; SM(9,8)=q1+q2+q3; q1=h3z2r2_3z2r2_s(d1)*f1+h3z2r2_3z2r2_s(d2)*f2+h3z2r2_3z2r2_s(d3)*f3; q1=q1*Vdadc_s; q2=h3z2r2_3z2r2_p(d1)*f1+h3z2r2_3z2r2_p(d2)*f2+h3z2r2_3z2r2_p(d3)*f3; q2=q2*Vdadc_p; q3=h3z2r2_3z2r2_d(d1)*f1+h3z2r2_3z2r2_d(d2)*f2+h3z2r2_3z2r2_d(d3)*f3; q3=q3*Vdadc_d; SM(9,9)=q1+q2+q3; end SbM=SM; % S_t - S_b r1=a0*[0,0,0]; d1=a0*[0,0,-b0/a0]; d1=d1/norm(d1); f1=exp(1i*dot(r1,kk)); StSb=zeros(9,9); for w=1 StSb(1,1)=f1; StSb(1,1)=StSb(1,1)*Vsasa_s; StSb(1,2)=s_x(d1)*f1; StSb(1,2)=StSb(1,2)*Vsapa_s; StSb(1,3)=s_y(d1)*f1; StSb(1,3)=StSb(1,3)*Vsapa_s; StSb(1,4)=s_z(d1)*f1; StSb(1,4)=StSb(1,4)*Vsapa_s; StSb(1,5)=s_xy(d1)*f1; StSb(1,5)=StSb(1,5)*Vsada_s; StSb(1,6)=s_yz(d1)*f1; StSb(1,6)=StSb(1,6)*Vsada_s; StSb(1,7)=s_xz(d1)*f1; StSb(1,7)=StSb(1,7)*Vsada_s; StSb(1,8)=s_x2y2(d1)*f1; StSb(1,8)=StSb(1,8)*Vsada_s; StSb(1,9)=s_3z2r2(d1)*f1; StSb(1,9)=StSb(1,9)*Vsada_s; StSb(2,1)=s_x(-d1)*f1; StSb(2,1)=StSb(2,1)*Vsapa_s; p1=x_x_s(d1)*f1; p1=p1*Vpapa_s; p2=x_x_p(d1)*f1; p2=p2*Vpapa_p; StSb(2,2)=p1+p2; p1=x_y_s(d1)*f1; p1=p1*Vpapa_s; p2=x_y_p(d1)*f1; p2=p2*Vpapa_p; StSb(2,3)=p1+p2; p1=x_z_s(d1)*f1; p1=p1*Vpapa_s; p2=x_z_p(d1)*f1; p2=p2*Vpapa_p; StSb(2,4)=p1+p2; q1=x_xy_s(d1)*f1; q1=q1*Vpada_s; q2=x_xy_p(d1)*f1; q2=q2*Vpada_p; StSb(2,5)=q1+q2; q1=x_yz_s(d1)*f1; q1=q1*Vpada_s; q2=x_yz_p(d1)*f1; q2=q2*Vpada_p; StSb(2,6)=q1+q2; q1=x_xz_s(d1)*f1; q1=q1*Vpada_s; q2=x_xz_p(d1)*f1; q2=q2*Vpada_p; StSb(2,7)=q1+q2; q1=x_x2y2_s(d1)*f1; q1=q1*Vpada_s; q2=x_x2y2_p(d1)*f1; q2=q2*Vpada_p; StSb(2,8)=q1+q2; q1=x_3z2r2_s(d1)*f1; q1=q1*Vpada_s; q2=x_3z2r2_p(d1)*f1; q2=q2*Vpada_p; StSb(2,9)=q1+q2; StSb(3,1)=s_y(-d1)*f1; StSb(3,1)=SM(3,1)*Vsapa_s; p1=x_y_s(-d1)*f1; p1=p1*Vpapa_s; p2=x_y_p(-d1)*f1; p2=p2*Vpapa_p; StSb(3,2)=p1+p2; p1=y_y_s(d1)*f1; p1=p1*Vpapa_s; p2=y_y_p(d1)*f1; p2=p2*Vpapa_p; StSb(3,3)=p1+p2; p1=y_z_s(d1)*f1; p1=p1*Vpapa_s; p2=y_z_p(d1)*f1; p2=p2*Vpapa_p; StSb(3,4)=p1+p2; q1=y_xy_s(d1)*f1; q1=q1*Vpada_s; q2=y_xy_p(d1)*f1; q2=q2*Vpada_p; StSb(3,5)=q1+q2; q1=y_yz_s(d1)*f1; q1=q1*Vpada_s; q2=y_yz_p(d1)*f1; q2=q2*Vpada_p; StSb(3,6)=q1+q2; q1=y_xz_s(d1)*f1; q1=q1*Vpada_s; q2=y_xz_p(d1)*f1; q2=q2*Vpada_p; StSb(3,7)=q1+q2; q1=y_x2y2_s(d1)*f1; q1=q1*Vpada_s; q2=y_x2y2_p(d1)*f1; q2=q2*Vpada_p; StSb(3,8)=q1+q2; q1=y_3z2r2_s(d1)*f1; q1=q1*Vpada_s; q2=y_3z2r2_p(d1)*f1; q2=q2*Vpada_p; StSb(3,9)=q1+q2; StSb(4,1)=s_z(-d1)*f1; StSb(4,1)=StSb(4,1)*Vsapa_s; p1=x_z_s(-d1)*f1; p1=p1*Vpapa_s; p2=x_z_p(-d1)*f1; p2=p2*Vpapa_p; StSb(4,2)=p1+p2; p1=y_z_s(-d1)*f1; p1=p1*Vpapa_s; p2=y_z_p(-d1)*f1; p2=p2*Vpapa_p; StSb(4,3)=p1+p2; p1=z_z_s(d1)*f1; p1=p1*Vpapa_s; p2=z_z_p(d1)*f1; p2=p2*Vpapa_p; StSb(4,4)=p1+p2; q1=z_xy_s(d1)*f1; q1=q1*Vpada_s; q2=z_xy_p(d1)*f1; q2=q2*Vpada_p; StSb(4,5)=q1+q2; q1=z_yz_s(d1)*f1; q1=q1*Vpada_s; q2=z_yz_p(d1)*f1; q2=q2*Vpada_p; StSb(4,6)=q1+q2; q1=z_xz_s(d1)*f1; q1=q1*Vpada_s; q2=z_xz_p(d1)*f1; q2=q2*Vpada_p; StSb(4,7)=q1+q2; q1=z_x2y2_s(d1)*f1; q1=q1*Vpada_s; q2=z_x2y2_p(d1)*f1; q2=q2*Vpada_p; StSb(4,8)=q1+q2; q1=z_3z2r2_s(d1)*f1; q1=q1*Vpada_s; q2=z_3z2r2_p(d1)*f1; q2=q2*Vpada_p; StSb(4,9)=q1+q2; StSb(5,1)=s_xy(-d1)*f1; StSb(5,1)=StSb(5,1)*Vsada_s; q1=x_xy_s(-d1)*f1; q1=q1*Vpada_s; q2=x_xy_p(-d1)*f1; q2=q2*Vpada_p; StSb(5,2)=q1+q2; q1=y_xy_s(-d1)*f1; q1=q1*Vpada_s; q2=y_xy_p(-d1)*f1; q2=q2*Vpada_p; StSb(5,3)=q1+q2; q1=z_xy_s(-d1)*f1; q1=q1*Vpada_s; q2=z_xy_p(-d1)*f1; q2=q2*Vpada_p; StSb(5,4)=q1+q2; q1=xy_xy_s(d1)*f1; q1=q1*Vdada_s; q2=xy_xy_p(d1)*f1; q2=q2*Vdada_p; q3=xy_xy_d(d1)*f1; q3=q3*Vdada_d; StSb(5,5)=q1+q2+q3; q1=xy_yz_s(d1)*f1; q1=q1*Vdada_s; q2=xy_yz_p(d1)*f1; q2=q2*Vdada_p; q3=xy_yz_d(d1)*f1; q3=q3*Vdada_d; StSb(5,6)=q1+q2+q3; q1=xy_xz_s(d1)*f1; q1=q1*Vdada_s; q2=xy_xz_p(d1)*f1; q2=q2*Vdada_p; q3=xy_xz_d(d1)*f1; q3=q3*Vdada_d; StSb(5,7)=q1+q2+q3; q1=xy_x2y2_s(d1)*f1; q1=q1*Vdada_s; q2=xy_x2y2_p(d1)*f1; q2=q2*Vdada_p; q3=xy_x2y2_d(d1)*f1; q3=q3*Vdada_d; StSb(5,8)=q1+q2+q3; q1=xy_3z2r2_s(d1)*f1; q1=q1*Vdada_s; q2=xy_3z2r2_p(d1)*f1; q2=q2*Vdada_p; q3=xy_3z2r2_d(d1)*f1; q3=q3*Vdada_d; StSb(5,9)=q1+q2+q3; StSb(6,1)=s_yz(-d1)*f1; StSb(6,1)=StSb(6,1)*Vsada_s; q1=x_yz_s(-d1)*f1; q1=q1*Vpada_s; q2=x_yz_p(-d1)*f1; q2=q2*Vpada_p; StSb(6,2)=q1+q2; q1=y_yz_s(-d1)*f1; q1=q1*Vpada_s; q2=y_yz_p(-d1)*f1; q2=q2*Vpada_p; StSb(6,3)=q1+q2; q1=z_yz_s(-d1)*f1; q1=q1*Vpada_s; q2=z_yz_p(-d1)*f1; q2=q2*Vpada_p; StSb(6,4)=q1+q2; q1=xy_yz_s(-d1)*f1; q1=q1*Vdada_s; q2=xy_yz_p(-d1)*f1; q2=q2*Vdada_p; q3=xy_yz_d(-d1)*f1; q3=q3*Vdada_d; StSb(6,5)=q1+q2+q3; q1=yz_yz_s(d1)*f1; q1=q1*Vdada_s; q2=yz_yz_p(d1)*f1; q2=q2*Vdada_p; q3=yz_yz_d(d1)*f1; q3=q3*Vdada_d; StSb(6,6)=q1+q2+q3; q1=yz_xz_s(d1)*f1; q1=q1*Vdada_s; q2=yz_xz_p(d1)*f1; q2=q2*Vdada_p; q3=yz_xz_d(d1)*f1; q3=q3*Vdada_d; StSb(6,7)=q1+q2+q3; q1=yz_x2y2_s(d1)*f1; q1=q1*Vdada_s; q2=yz_x2y2_p(d1)*f1; q2=q2*Vdada_p; q3=yz_x2y2_d(d1)*f1; q3=q3*Vdada_d; StSb(6,8)=q1+q2+q3; q1=yz_3z2r2_s(d1)*f1; q1=q1*Vdada_s; q2=yz_3z2r2_p(d1)*f1; q2=q2*Vdada_p; q3=yz_3z2r2_d(d1)*f1; q3=q3*Vdada_d; StSb(6,9)=q1+q2+q3; StSb(7,1)=s_xz(-d1)*f1; StSb(7,1)=StSb(7,1)*Vsada_s; q1=x_xz_s(-d1)*f1; q1=q1*Vpada_s; q2=x_xz_p(-d1)*f1; q2=q2*Vpada_p; StSb(7,2)=q1+q2; q1=y_xz_s(-d1)*f1; q1=q1*Vpada_s; q2=y_xz_p(-d1)*f1; q2=q2*Vpada_p; StSb(7,3)=q1+q2; q1=z_xz_s(-d1)*f1; q1=q1*Vpada_s; q2=z_xz_p(-d1)*f1; q2=q2*Vpada_p; StSb(7,4)=q1+q2; q1=xy_xz_s(-d1)*f1; q1=q1*Vdada_s; q2=xy_xz_p(-d1)*f1; q2=q2*Vdada_p; q3=xy_xz_d(-d1)*f1; q3=q3*Vdada_d; StSb(7,5)=q1+q2+q3; q1=yz_xz_s(-d1)*f1; q1=q1*Vdada_s; q2=yz_xz_p(-d1)*f1; q2=q2*Vdada_p; q3=yz_xz_d(-d1)*f1; q3=q3*Vdada_d; StSb(7,6)=q1+q2+q3; q1=xz_xz_s(d1)*f1; q1=q1*Vdada_s; q2=xz_xz_p(d1)*f1; q2=q2*Vdada_p; q3=xz_xz_d(d1)*f1; q3=q3*Vdada_d; StSb(7,7)=q1+q2+q3; q1=xz_x2y2_s(d1)*f1; q1=q1*Vdada_s; q2=xz_x2y2_p(d1)*f1; q2=q2*Vdada_p; q3=xz_x2y2_d(d1)*f1; q3=q3*Vdada_d; StSb(7,8)=q1+q2+q3; q1=xz_3z2r2_s(d1)*f1; q1=q1*Vdada_s; q2=xz_3z2r2_p(d1)*f1; q2=q2*Vdada_p; q3=xz_3z2r2_d(d1)*f1; q3=q3*Vdada_d; StSb(7,9)=q1+q2+q3; StSb(8,1)=s_x2y2(-d1)*f1; StSb(8,1)=StSb(8,1)*Vsada_s; q1=x_x2y2_s(-d1)*f1; q1=q1*Vpada_s; q2=x_x2y2_p(-d1)*f1; q2=q2*Vpada_p; StSb(8,2)=q1+q2; q1=y_x2y2_s(-d1)*f1; q1=q1*Vpada_s; q2=y_x2y2_p(-d1)*f1; q2=q2*Vpada_p; StSb(8,3)=q1+q2; q1=z_x2y2_s(-d1)*f1; q1=q1*Vpada_s; q2=z_x2y2_p(-d1)*f1; q2=q2*Vpada_p; StSb(8,4)=q1+q2; q1=xy_x2y2_s(-d1)*f1; q1=q1*Vdada_s; q2=xy_x2y2_p(-d1)*f1; q2=q2*Vdada_p; q3=xy_x2y2_d(-d1)*f1; q3=q3*Vdada_d; StSb(8,5)=q1+q2+q3; q1=yz_x2y2_s(-d1)*f1; q1=q1*Vdada_s; q2=yz_x2y2_p(-d1)*f1; q2=q2*Vdada_p; q3=yz_x2y2_d(-d1)*f1; q3=q3*Vdada_d; StSb(8,6)=q1+q2+q3; q1=xz_x2y2_s(-d1)*f1; q1=q1*Vdada_s; q2=xz_x2y2_p(-d1)*f1; q2=q2*Vdada_p; q3=xz_x2y2_d(-d1)*f1; q3=q3*Vdada_d; StSb(8,7)=q1+q2+q3; q1=x2y2_x2y2_s(d1)*f1; q1=q1*Vdada_s; q2=x2y2_x2y2_p(d1)*f1; q2=q2*Vdada_p; q3=x2y2_x2y2_d(d1)*f1; q3=q3*Vdada_d; StSb(8,8)=q1+q2+q3; q1=x2y2_3z2r2_s(d1)*f1; q1=q1*Vdada_s; q2=x2y2_3z2r2_p(d1)*f1; q2=q2*Vdada_p; q3=x2y2_3z2r2_d(d1)*f1; q3=q3*Vdada_d; StSb(8,9)=q1+q2+q3; StSb(9,1)=s_3z2r2(-d1)*f1; StSb(9,1)=StSb(9,1)*Vsada_s; q1=x_3z2r2_s(-d1)*f1; q1=q1*Vpada_s; q2=x_3z2r2_p(-d1)*f1; q2=q2*Vpada_p; StSb(9,2)=q1+q2; q1=y_3z2r2_s(-d1)*f1; q1=q1*Vpada_s; q2=y_3z2r2_p(-d1)*f1; q2=q2*Vpada_p; StSb(9,3)=q1+q2; q1=z_3z2r2_s(-d1)*f1; q1=q1*Vpada_s; q2=z_3z2r2_p(-d1)*f1; q2=q2*Vpada_p; StSb(9,4)=q1+q2; q1=xy_3z2r2_s(-d1)*f1; q1=q1*Vdada_s; q2=xy_3z2r2_p(-d1)*f1; q2=q2*Vdada_p; q3=xy_3z2r2_d(-d1)*f1; q3=q3*Vdada_d; StSb(9,5)=q1+q2+q3; q1=yz_3z2r2_s(-d1)*f1; q1=q1*Vdada_s; q2=yz_3z2r2_p(-d1)*f1; q2=q2*Vdada_p; q3=yz_3z2r2_d(-d1)*f1; q3=q3*Vdada_d; StSb(9,6)=q1+q2+q3; q1=xz_3z2r2_s(-d1)*f1; q1=q1*Vdada_s; q2=xz_3z2r2_p(-d1)*f1; q2=q2*Vdada_p; q3=xz_3z2r2_d(-d1)*f1; q3=q3*Vdada_d; StSb(9,7)=q1+q2+q3; q1=x2y2_3z2r2_s(-d1)*f1; q1=q1*Vdada_s; q2=x2y2_3z2r2_p(-d1)*f1; q2=q2*Vdada_p; q3=x2y2_3z2r2_d(-d1)*f1; q3=q3*Vdada_d; StSb(9,8)=q1+q2+q3; q1=h3z2r2_3z2r2_s(d1)*f1; q1=q1*Vdada_s; q2=h3z2r2_3z2r2_p(d1)*f1; q2=q2*Vdada_p; q3=h3z2r2_3z2r2_d(d1)*f1; q3=q3*Vdada_d; StSb(9,9)=q1+q2+q3; end H=[[SS,StSb,StM]; [StSb',SS,SbM]; [StM',SbM',MM]]; H=[[H,H*0];[H*0,H]]; SS_so1=zeros(9,9); SS_so1(2,3)=-1i*delta_a/3; SS_so1(3,2)=1i*delta_a/3; MM_so1=zeros(9,9); MM_so1(2,3)=-1i*delta_c/3; MM_so1(3,2)=1i*delta_c/3; Hso1=[[SS_so1,zeros(9,9),zeros(9,9)]; [zeros(9,9),SS_so1,zeros(9,9)]; [zeros(9,9),zeros(9,9),MM_so1]]; SS_so2=zeros(9,9); SS_so2(2,4)=delta_a/3; SS_so2(3,4)=-1i*delta_a/3; SS_so2(4,2)=-delta_a/3; SS_so2(4,3)=1i*delta_a/3; MM_so2=zeros(9,9); MM_so2(2,4)=delta_c/3; MM_so2(3,4)=-1i*delta_c/3; MM_so2(4,2)=-delta_c/3; MM_so2(4,3)=1i*delta_c/3; Hso2=[[SS_so2,zeros(9,9),zeros(9,9)]; [zeros(9,9),SS_so2,zeros(9,9)]; [zeros(9,9),zeros(9,9),MM_so2]]; Hso=[[Hso1,Hso2];[Hso2',-Hso1]]; H=H+Hso; [Vk,Ek]=eig(H); E(:,i)=sort(real(diag(Ek))); end plot(E.'); xlim([0 knumber]) ylim([-2.5 2.5]) xticklabels({}) yline(0,'--'); xl=xline([0,n1+1,n1+n2+1,n1+n2+n3],'-'); labels = {'$\Gamma$','$M$','$K$','$\Gamma$'}; text([1,n1+1,n1+n2+1,n1+n2+n3+1],[-3,-3,-3,-3],labels,'VerticalAlignment','bottom','FontSize',20,'FontWeight','bold','Interpreter','latex') data=[linspace(1,knumber,knumber).',E.']; function c = s_x(d) c = d(1); end function c = s_y(d) c = d(2); end function c = s_z(d) c = d(3); end function c = s_xy(d) c = sqrt(3)*d(1)*d(2); end function c = s_yz(d) c = sqrt(3)*d(2)*d(3); end function c = s_xz(d) c = sqrt(3)*d(1)*d(3); end function c = s_x2y2(d) c = sqrt(3)/2*(d(1)^2-d(2)^2); end function c = s_3z2r2(d) c = d(3)^2-(d(1)^2+d(2)^2)/2; end function c = x_x_s(d) c = d(1)^2; end function c = x_x_p(d) c = 1-d(1)^2; end function c = x_y_s(d) c = d(1)*d(2); end function c = x_y_p(d) c = -d(1)*d(2); end function c = x_z_s(d) c = d(1)*d(3); end function c = x_z_p(d) c = -d(1)*d(3); end function c = x_xy_s(d) c = sqrt(3)*d(1)^2*d(2); end function c = x_xy_p(d) c = d(2)*(1-2*d(1)^2); end function c = x_yz_s(d) c = sqrt(3)*d(1)*d(2)*d(3); end function c = x_yz_p(d) c = -2*d(1)*d(2)*d(3); end function c = x_xz_s(d) c = sqrt(3)*d(1)^2*d(3); end function c = x_xz_p(d) c = d(3)*(1-2*d(1)^2); end function c = x_x2y2_s(d) c = sqrt(3)/2*d(1)*(d(1)^2-d(2)^2); end function c = x_x2y2_p(d) c = d(1)*(1-d(1)^2+d(2)^2); end function c = x_3z2r2_s(d) c = d(1)*(d(3)^2-(d(1)^2+d(2)^2)/2); end function c = x_3z2r2_p(d) c = -sqrt(3)*d(1)*d(3)^2; end function c = y_y_s(d) c = d(2)^2; end function c = y_y_p(d) c = 1-d(2)^2; end function c = y_z_s(d) c = d(2)*d(3); end function c = y_z_p(d) c = -d(2)*d(3); end function c = y_xy_s(d) c = sqrt(3)*d(2)^2*d(1); end function c = y_xy_p(d) c = d(1)*(1-2*d(2)^2); end function c = y_yz_s(d) c = sqrt(3)*d(2)^2*d(3); end function c = y_yz_p(d) c = d(3)*(1-2*d(2)^2); end function c = y_xz_s(d) c = sqrt(3)*d(1)*d(2)*d(3); end function c = y_xz_p(d) c = -2*d(1)*d(2)*d(3); end function c = y_x2y2_s(d) c = sqrt(3)/2*d(2)*(d(1)^2-d(2)^2); end function c = y_x2y2_p(d) c = -d(2)*(1+d(1)^2-d(2)^2); end function c = y_3z2r2_s(d) c = d(2)*(d(3)^2-(d(1)^2+d(2)^2)/2); end function c = y_3z2r2_p(d) c = -sqrt(3)*d(2)*d(3)^2; end function c = z_z_s(d) c = d(3)^2; end function c = z_z_p(d) c = 1-d(3)^2; end function c = z_yz_s(d) c = sqrt(3)*d(3)^2*d(2); end function c = z_yz_p(d) c = d(2)*(1-2*d(3)^2); end function c = z_xz_s(d) c = sqrt(3)*d(3)^2*d(1); end function c = z_xz_p(d) c = d(1)*(1-2*d(3)^2); end function c = z_xy_s(d) c = sqrt(3)*d(1)*d(2)*d(3); end function c = z_xy_p(d) c = -2*d(1)*d(2)*d(3); end function c = z_x2y2_s(d) c = sqrt(3)/2*d(3)*(d(1)^2-d(2)^2); end function c = z_x2y2_p(d) c = -d(3)*(d(1)^2-d(2)^2); end function c = z_3z2r2_s(d) c = d(3)*(d(3)^2-(d(1)^2+d(2)^2)/2); end function c = z_3z2r2_p(d) c = sqrt(3)*d(3)*(d(1)^2+d(2)^2); end function c = xy_xy_s(d) c = 3*d(1)^2*d(2)^2; end function c = xy_xy_p(d) c = d(1)^2+d(2)^2-4*d(1)^2*d(2)^2; end function c = xy_xy_d(d) c = d(3)^2+d(1)^2*d(2)^2; end function c = xy_yz_s(d) c = 3*d(1)*d(2)^2*d(3); end function c = xy_yz_p(d) c = d(1)*d(3)*(1-4*d(2)^2); end function c = xy_yz_d(d) c = d(1)*d(3)*(d(2)^2-1); end function c = xy_xz_s(d) c = 3*d(1)^2*d(2)*d(3); end function c = xy_xz_p(d) c = d(2)*d(3)*(1-4*d(1)^2); end function c = xy_xz_d(d) c = d(2)*d(3)*(d(1)^2-1); end function c = xy_x2y2_s(d) c = 3/2*d(1)*d(2)*(d(1)^2-d(2)^2); end function c = xy_x2y2_p(d) c = 2*d(1)*d(2)*(d(2)^2-d(1)^2); end function c = xy_x2y2_d(d) c = d(1)*d(2)*(d(1)^2-d(2)^2)/2; end function c = xy_3z2r2_s(d) c = sqrt(3)*d(1)*d(2)*(d(3)^2-(d(1)^2+d(2)^2)/2); end function c = xy_3z2r2_p(d) c = sqrt(3)*(-2)*d(1)*d(2)*d(3)^2; end function c = xy_3z2r2_d(d) c = sqrt(3)*d(1)*d(2)*(1+d(3)^2)/2; end function c = yz_yz_s(d) c = 3*d(2)^2*d(3)^2; end function c = yz_yz_p(d) c = d(2)^2+d(3)^2-4*d(2)^2*d(3)^2; end function c = yz_yz_d(d) c = d(1)^2+d(2)^2*d(3)^2; end function c = yz_xz_s(d) c = 3*d(1)*d(2)*d(3)^2; end function c = yz_xz_p(d) c = d(1)*d(2)*(1-4*d(3)^2); end function c = yz_xz_d(d) c = d(1)*d(2)*(d(3)^2-1); end function c = yz_x2y2_s(d) c = 3/2*d(2)*d(3)*(d(1)^2-d(2)^2); end function c = yz_x2y2_p(d) c = -d(2)*d(3)*(1+2*(d(1)^2-d(2)^2)); end function c = yz_x2y2_d(d) c = d(2)*d(3)*(1+(d(1)^2-d(2)^2)/2); end function c = yz_3z2r2_s(d) c = sqrt(3)*d(2)*d(3)*(d(3)^2-(d(1)^2+d(2)^2)/2); end function c = yz_3z2r2_p(d) c = sqrt(3)*d(2)*d(3)*(d(1)^2+d(2)^2-d(3)^2); end function c = yz_3z2r2_d(d) c = -sqrt(3)*d(2)*d(3)*(d(1)^2+d(2)^2)/2; end function c = xz_xz_s(d) c = 3*d(1)^2*d(3)^2; end function c = xz_xz_p(d) c = d(1)^2+d(3)^2-4*d(1)^2*d(3)^2; end function c = xz_xz_d(d) c = d(2)^2+d(1)^2*d(3)^2; end function c = xz_x2y2_s(d) c = 3/2*d(3)*d(1)*(d(1)^2-d(2)^2); end function c = xz_x2y2_p(d) c = d(3)*d(1)*(1-2*(d(1)^2-d(2)^2)); end function c = xz_x2y2_d(d) c = -d(3)*d(1)*(1-(d(1)^2-d(2)^2)/2); end function c = xz_3z2r2_s(d) c = sqrt(3)*d(1)*d(3)*(d(3)^2-(d(1)^2+d(2)^2)/2); end function c = xz_3z2r2_p(d) c = sqrt(3)*d(1)*d(3)*(d(1)^2+d(2)^2-d(3)^2); end function c = xz_3z2r2_d(d) c = -sqrt(3)*d(1)*d(3)*(d(1)^2+d(2)^2)/2; end function c = x2y2_x2y2_s(d) c = 3/4*(d(1)^2-d(2)^2)^2; end function c = x2y2_x2y2_p(d) c = d(1)^2+d(2)^2-(d(1)^2-d(2)^2)^2; end function c = x2y2_x2y2_d(d) c = d(3)^2+(d(1)^2-d(2)^2)^2/4; end function c = x2y2_3z2r2_s(d) c = sqrt(3)*(d(1)^2-d(2)^2)*(d(3)^2-(d(1)^2+d(2)^2)/2)/2; end function c = x2y2_3z2r2_p(d) c = sqrt(3)*d(3)^2*(d(2)^2-d(1)^2); end function c = x2y2_3z2r2_d(d) c = sqrt(3)*(1+d(3)^2)*(d(1)^2-d(2)^2)/4; end function c = h3z2r2_3z2r2_s(d) c = (d(3)^2-(d(1)^2+d(2)^2)/2)^2; end function c = h3z2r2_3z2r2_p(d) c = 3*d(3)^2*(d(1)^2+d(2)^2); end function c = h3z2r2_3z2r2_d(d) c = 3/4*(d(1)^2+d(2)^2)^2; end