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/dports/science/openmx/openmx3.8/source/
H A DTRAN_Set_SurfOverlap_NC.c63 double a00,a11,a01r,a01i,b00,b11,b01; in TRAN_Set_SurfOverlap_NC() local
143 a01i=H_e[iside][3][GA_AN][LB_AN][i][j]; in TRAN_Set_SurfOverlap_NC()
152 H00_nc_e[iside][S01_ref(Anum+i,Bnum+j)].r += co*a01r - si*(a01i+b01); in TRAN_Set_SurfOverlap_NC()
153 H00_nc_e[iside][S01_ref(Anum+i,Bnum+j)].i += si*a01r + co*(a01i+b01); in TRAN_Set_SurfOverlap_NC()
187 a01i=H_e[iside][3][GA_AN][LB_AN][i][j]; in TRAN_Set_SurfOverlap_NC()
196 H01_nc_e[iside][S01_ref(Anum+i,Bnum+j)].r += co*a01r - si*(a01i+b01); in TRAN_Set_SurfOverlap_NC()
197 H01_nc_e[iside][S01_ref(Anum+i,Bnum+j)].i += si*a01r + co*(a01i+b01); in TRAN_Set_SurfOverlap_NC()
H A DTRAN_Set_CentOverlap_NC.c149 double a00,a11,a01r,a01i,b00,b11,b01; in TRAN_Set_CentOverlap_NC() local
203 a01i=H1[3][q]; in TRAN_Set_CentOverlap_NC()
213 HCC_nc[SCC01_ref(Anum+i,Bnum+j)].r += co*a01r - si*(a01i+b01); in TRAN_Set_CentOverlap_NC()
214 HCC_nc[SCC01_ref(Anum+i,Bnum+j)].i += si*a01r + co*(a01i+b01); in TRAN_Set_CentOverlap_NC()
H A DTRAN_Main_Analysis_NC.c3603 double a00,a11,a01r,a01i,b00,b11,b01; in MTRAN_Set_SurfOverlap() local
3683 a01i=H_e[iside][3][GA_AN][LB_AN][i][j]; in MTRAN_Set_SurfOverlap()
3692 H00_e[iside][S01_ref(Anum+i,Bnum+j)].r += co*a01r - si*(a01i+b01); in MTRAN_Set_SurfOverlap()
3693 H00_e[iside][S01_ref(Anum+i,Bnum+j)].i += si*a01r + co*(a01i+b01); in MTRAN_Set_SurfOverlap()
3716 a01i=H_e[iside][3][GA_AN][LB_AN][i][j]; in MTRAN_Set_SurfOverlap()
3725 H01_e[iside][S01_ref(Anum+i,Bnum+j)].r += co*a01r - si*(a01i+b01); in MTRAN_Set_SurfOverlap()
3726 H01_e[iside][S01_ref(Anum+i,Bnum+j)].i += si*a01r + co*(a01i+b01); in MTRAN_Set_SurfOverlap()
3905 double a00,a11,a01r,a01i,b00,b11,b01; in MTRAN_Set_CentOverlap() local
3949 a01i=H[3][GA_AN][LB_AN][i][j]; in MTRAN_Set_CentOverlap()
3959 HCC[SCC01_ref(Anum+i,Bnum+j)].r += co*a01r - si*(a01i+b01); in MTRAN_Set_CentOverlap()
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