Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|

integer, | intent(in) | :: | config_label |
|||

integer, | intent(in) | :: | nrepeats |
|||

real(kind=dp), | intent(in) | :: | overlap_mats(:,:,:) |
|||

real(kind=dp), | intent(in) | :: | hamil_mats(:,:,:) |
|||

real(kind=dp), | intent(out) | :: | overlap_mean(:,:) |
|||

real(kind=dp), | intent(out) | :: | hamil_mean(:,:) |
|||

real(kind=dp), | intent(out) | :: | overlap_se(:,:) |
|||

real(kind=dp), | intent(out) | :: | hamil_se(:,:) |

```
subroutine average_kp_matrices_wrapper(config_label, nrepeats, overlap_mats, hamil_mats, &
overlap_mean, hamil_mean, overlap_se, hamil_se)
integer, intent(in) :: config_label, nrepeats
real(dp), intent(in) :: overlap_mats(:, :, :), hamil_mats(:, :, :)
real(dp), intent(out) :: overlap_mean(:, :), hamil_mean(:, :)
real(dp), intent(out) :: overlap_se(:, :), hamil_se(:, :)
call average_kp_matrices(nrepeats, hamil_mats, hamil_mean, hamil_se)
call average_kp_matrices(nrepeats, overlap_mats, overlap_mean, overlap_se)
if (tOutputAverageKPMatrices) then
call output_average_kp_matrix(config_label, nrepeats, 'av_hamil ', hamil_mean, hamil_se)
call output_average_kp_matrix(config_label, nrepeats, 'av_overlap', overlap_mean, overlap_se)
end if
end subroutine average_kp_matrices_wrapper
```

NECI was developed by Alavi Group

© 2023

Documentation generated by FORD