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/**********************************************************************
TRAN_Calc_SelfEnergy.c:
TRAN_Calc_SelfEnergy.c is a subroutine to calculate selfenergy of the C region.
e.g., sigma_L = (w SCL-HCL) G_L(w) ( w SLC-HLC )
Log of TRAN_Calc_SelfEnergy.o
11/Dec/2005 Released by H.Kino
***********************************************************************/
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include <mpi.h>
#include "tran_prototypes.h"
#include "lapack_prototypes.h"
void TRAN_Calc_SelfEnergy(
/* input */
dcomplex w, /* freq, imag>0 */
int ne,
dcomplex *gr, /* green function of electrode, size=ne*ne */
int nc,
dcomplex *hce, /* e.g., HCL, size=nc*ne */
dcomplex *sce, /* e.g., SCL, size=nc*ne */
/* output */
dcomplex *sigma /* e.g., Sigma_L , size=nc*nc */
)
#define hce_ref(i,j) hce[ nc*((j)-1)+(i)-1]
#define sce_ref(i,j) sce[ nc*((j)-1)+(i)-1]
#define gr_ref(i,j) gr[ ne*((j)-1) +(i)-1 ]
#define sigma_ref(i,j) sigma[ nc*((j)-1) + (i)-1 ]
#define wSH1_ref(i,j) wSH1[ nc*((j)-1) + (i)-1 ]
#define wSH2_ref(i,j) wSH2[ ne*((j)-1) + (i)-1 ]
{
int i,j;
dcomplex a,b;
dcomplex *wSH1;
dcomplex *wSH2;
dcomplex *wSHG;
a.r=1.0; a.i=0.0;
b.r=0.0; b.i=0.0;
/* calculate (w SCL-HCL) G_L ( w SLC-HLC ) */
wSH1 = (dcomplex*)malloc(sizeof(dcomplex)*nc*ne);
wSH2 = (dcomplex*)malloc(sizeof(dcomplex)*ne*nc);
wSHG = (dcomplex*)malloc(sizeof(dcomplex)*nc*ne);
/* wSH1 = (w SCL-HCL) */
for (i=1;i<=nc;i++) {
for (j=1;j<=ne;j++) {
wSH1_ref(i,j).r = w.r*sce_ref(i,j).r - w.i*sce_ref(i,j).i - hce_ref(i,j).r;
wSH1_ref(i,j).i = w.i*sce_ref(i,j).r + w.r*sce_ref(i,j).i - hce_ref(i,j).i;
}
}
/* wSH2 = ( w SLC-HLC ) */
for (i=1;i<=ne;i++) {
for (j=1;j<=nc;j++) {
/* wSH2 ne*nc
* sce nc*ne
*/
/* taking accout of complex conjugate of S and H */
wSH2_ref(i,j).r = w.r*sce_ref(j,i).r + w.i*sce_ref(j,i).i - hce_ref(j,i).r;
wSH2_ref(i,j).i = w.i*sce_ref(j,i).r - w.r*sce_ref(j,i).i + hce_ref(j,i).i;
}
}
/* (w SCL-HCL) G_L */
/*
* wSH1 nc x ne
* gr ne x ne
* wSHG nc x ne
*/
F77_NAME(zgemm,ZGEMM)("N","N",&nc,&ne,&ne,&a,wSH1,&nc, gr, &ne, &b, wSHG, &nc);
/* (w SCL-HCL) G_L * ( w SLC-HLC ) */
/*
* wSHG nc x ne
* wSH2 ne x nc
* sigma nc x nc
*/
F77_NAME(zgemm,ZGEMM)("N","N",&nc,&nc,&ne,&a,wSHG, &nc, wSH2, &ne, &b, sigma, &nc);
free(wSHG);
free(wSH2);
free(wSH1);
}
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