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#include <stdio.h>
#include <stdlib.h>
#ifdef nompi
#include "mimic_mpi.h"
#else
#include <mpi.h>
#endif
#include "tran_prototypes.h"
#include "tran_variables.h"
#ifndef eV2Hartree
#define eV2Hartree 27.2113845
#endif
/*
* write tran_transmission to the file "transmission"
* input tran_transmission_energyrange,
* tran_transmission_energydiv
* tran_transmission
*/
void TRAN_Output_Transmission(int SpinP_switch)
{
int iw,k;
dcomplex w;
FILE *fp;
if ( tran_transmission_on ) {
char *fname="transmission";
printf("TRAN_Output_Transmission file=%s\n",fname);
if ( ( fp =fopen(fname,"w") )== NULL ) {
printf("\ncan not open file to write transmission\n");
printf("write transmission to stdout\n");
fp = stdout;
}
fprintf(fp,"# SpinP_switch= %d\n",SpinP_switch);
fprintf(fp,"# tran_transmission_energydiv= %d\n", tran_transmission_energydiv);
for (k=0;k<=SpinP_switch; k++) {
fprintf(fp,"# spin= %d\n",k);
fprintf(fp,"# iw w.real(au) w.imag(au) w.real(eV) w.imag(eV) trans.real trans.imag\n");
for (iw=0;iw<tran_transmission_energydiv ; iw++) {
w.r = tran_transmission_energyrange[0]+
(tran_transmission_energyrange[1]-tran_transmission_energyrange[0])*
(double)iw/(tran_transmission_energydiv-1);
w.i = tran_transmission_energyrange[2];
fprintf(fp,"%d %le %le %le %le %le %le\n", iw, w.r, w.i,
w.r*eV2Hartree, w.i*eV2Hartree,
tran_transmission[k][iw].r,
tran_transmission[k][iw].i );
} /* iw */
fprintf(fp,"\n\n");
} /* k */
if ( fp!=stdout && fp!=NULL ) fclose(fp);
}
/*********************************************************************
write transmission_iv
********************************************************************/
if ( tran_transmission_iv_on ) {
char *fname="transmission_iv";
printf("TRAN_Output_Transmission iv file=%s\n",fname);
if ( ( fp =fopen(fname,"w") )== NULL ) {
printf("\ncan not open file to write transmission\n");
printf("write transmission to stdout\n");
fp = stdout;
}
fprintf(fp,"# SpinP_switch= %d\n",SpinP_switch);
fprintf(fp,"# tran_transmission_iv_energydiv= %d\n", tran_transmission_iv_energydiv);
for (k=0;k<=SpinP_switch; k++) {
fprintf(fp,"# spin= %d\n",k);
fprintf(fp,"# iw w.real(au) w.imag(au) w.real(eV) w.imag(eV) trans.real trans.imag\n");
for (iw=0;iw<tran_transmission_iv_energydiv ; iw++) {
w.r = tran_transmission_iv_energyrange[0]+
(tran_transmission_iv_energyrange[1]-tran_transmission_iv_energyrange[0])*
((double)iw+0.5)/(tran_transmission_iv_energydiv-1);
w.i = tran_transmission_iv_energyrange[2];
fprintf(fp,"%d %le %le %le %le %le %le\n", iw, w.r, w.i,
w.r*eV2Hartree, w.i*eV2Hartree,
tran_transmission_iv[k][iw].r,
tran_transmission_iv[k][iw].i );
} /* iw */
fprintf(fp,"\n\n");
} /* k */
if ( fp!=stdout && fp!=NULL ) fclose(fp);
}
printf("TRAN_Output_Transmission out\n");
}
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