1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
|
/**********************************************************************
TRAN_Calc_CentGreenLesser.c:
TRAN_Calc_CentGreenLesser.c is a subroutine to calculate the lesser
Green's function of the central part.
Log of TRAN_Calc_CentGreenLesser.c:
24/July/2008 Released by H. Kino and T. Ozaki
***********************************************************************/
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include <mpi.h>
#include "tran_prototypes.h"
#include "lapack_prototypes.h"
#define PI 3.1415926535897932384626
void TRAN_Calc_CentGreenLesser(
/* input */
dcomplex w,
double ChemP_e[2],
int nc,
int Order_Lead_Side[2],
dcomplex *SigmaL,
dcomplex *SigmaR,
dcomplex *GC,
dcomplex *HCCk,
dcomplex *SCC,
/* work, nc*nc */
dcomplex *v1,
dcomplex *v2,
/* output */
dcomplex *Gless
)
#define GC_ref(i,j) GC[nc*((j)-1)+(i)-1]
#define GC_Ad_ref(i,j) GC[nc*((i)-1)+(j)-1] /* Sign change will be taken into account during the calculation */
#define SigmaL_ref(i,j) SigmaL[nc*((j)-1)+(i)-1]
#define SigmaL_Ad_ref(i,j) SigmaL[nc*((i)-1)+(j)-1] /* Sign change will be taken into account during the calculation */
#define SigmaR_ref(i,j) SigmaR[nc*((j)-1)+(i)-1]
#define SigmaR_Ad_ref(i,j) SigmaR[nc*((i)-1)+(j)-1] /* Sign change will be taken into account during the calculation */
#define SCC_ref(i,j) SCC[nc*((j)-1)+(i)-1]
#define HCCk_ref(i,j) HCCk[nc*((j)-1)+(i)-1]
#define v1_ref(i,j) v1[nc*((j)-1)+(i)-1]
#define v2_ref(i,j) v2[nc*((j)-1)+(i)-1]
#define Gless_ref(i,j) Gless[nc*((j)-1)+(i)-1]
{
int i,j;
int side;
dcomplex alpha,beta;
dcomplex ctmp;
alpha.r = 1.0;
alpha.i = 0.0;
beta.r = 0.0;
beta.i = 0.0;
/******************************************************
lesser Green's function
******************************************************/
/* v1 = -\sigama_{L or R}(z^*) */
if (Order_Lead_Side[1]==0){
for (i=1; i<=nc; i++) {
for (j=1; j<=nc; j++) {
v1_ref(i,j).r = SigmaL_ref(i,j).r - SigmaL_Ad_ref(i,j).r;
v1_ref(i,j).i = SigmaL_ref(i,j).i + SigmaL_Ad_ref(i,j).i;
}
}
}
else{
for (i=1; i<=nc; i++) {
for (j=1; j<=nc; j++) {
v1_ref(i,j).r = SigmaR_ref(i,j).r - SigmaR_Ad_ref(i,j).r;
v1_ref(i,j).i = SigmaR_ref(i,j).i + SigmaR_Ad_ref(i,j).i;
}
}
}
/* v2 = G(z) * v1 */
F77_NAME(zgemm,ZGEMM)("N","N", &nc, &nc, &nc, &alpha, GC, &nc, v1, &nc, &beta, v2, &nc);
/* Gless = G(z) * v1 * G^{dag}(z) */
F77_NAME(zgemm,ZGEMM)("N","C", &nc, &nc, &nc, &alpha, v2, &nc, GC, &nc, &beta, Gless, &nc);
/******************************************************
-1/(i 2Pi) * Gless
******************************************************/
for (i=1; i<=nc; i++) {
for (j=1; j<=nc; j++) {
ctmp.r = Gless_ref(i,j).r/(2.0*PI);
ctmp.i = Gless_ref(i,j).i/(2.0*PI);
Gless_ref(i,j).r =-ctmp.i;
Gless_ref(i,j).i = ctmp.r;
}
}
}
|
