3
\brief Print eigenvectors and eigenvalues
12
** eigout(): Print out eigenvectors and eigenvalues.
14
** Prints an n x m matrix of eigenvectors. Under each eigenvector,
15
** the corresponding elements of two arrays, b and c, will also be printed.
16
** This is useful for printing, for example, the SCF eigenvectors with
17
** their associated eigenvalues (orbital energies) and also the population.
19
** \param a = matrix of eigenvectors (eigenvectors are columns)
20
** \param b = first array to print under eigenvectors (e.g., eigenvalues)
21
** \param c = second array to print under eigenvectors (e.g., populations)
22
** \param m = number of rows in matrix a
23
** \param n = number of columns in matrix a (and length of b and c)
24
** \param out = file pointer for output
30
void eigout(double **a, double *b, double *c, int m, int n, FILE *out)
43
for (i=ii; i <= nn; i++) fprintf(out," %5d",i);
45
for (i=0; i < m; i++) {
46
fprintf (out,"\n%5d",i+1);
47
for (j=ii-1; j < nn; j++) {
48
fprintf (out,"%12.7f",a[i][j]);
53
for (j=ii-1; j < nn; j++) {
54
fprintf(out,"%12.7f",b[j]);
58
for (j=ii-1; j < nn; j++) {
59
fprintf(out,"%12.7f",c[j]);