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/**********************************************************************
TRAN_Check_Inputs.c:
TRAN_Check_Input.c is a subroutine to check th input data.
Log of TRAN_Check_Input.c:
06/Oct./2008 Released by H.Kino and T.Ozaki
***********************************************************************/
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include "Inputtools.h"
#include "openmx_common.h"
#ifdef nompi
#include "mimic_mpi.h"
#else
#include <mpi.h>
#endif
#include "tran_prototypes.h"
#include "tran_variables.h"
void TRAN_Check_Input( MPI_Comm comm1, int Solver )
{
int po=0;
FILE *fp;
char *s_vec[20];
int i_vec[20];
double r_vec[20];
int myid,i,j,spe,spe_e;
char Species[YOUSO10];
double Length_C, Length_L, Length_R;
double angleCL, angleCR;
double Lsign, Rsign;
if (Solver!=4) return;
MPI_Comm_rank(comm1,&myid);
/* left */
for (i=1; i<=Latomnum; i++){
j = TRAN_Original_Id[i];
spe = WhatSpecies[i];
spe_e = WhatSpecies_e[0][j];
if (Spe_Total_NO_e[0][spe_e]!=Spe_Total_NO[spe]){
if (myid==Host_ID){
printf("The specification of species in the LEFT lead is inconsistent.\n");
printf("Probably the basis set is different from that used in the band calculation.\n");
}
po++;
}
}
/* right */
for (i=1; i<=Ratomnum; i++){
j = TRAN_Original_Id[Catomnum+Latomnum+i];
spe = WhatSpecies[Catomnum+Latomnum+i];
spe_e = WhatSpecies_e[1][j];
if (Spe_Total_NO_e[1][spe_e]!=Spe_Total_NO[spe]){
if (myid==Host_ID){
printf("The specification of species in the RIGHT lead is inconsistent.\n");
printf("Probably the basis set is different from that used in the band calculation.\n");
}
po++;
}
}
/* check po */
if (po!=0){
MPI_Finalize();
exit(0);
}
}
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