rhoq_write_kmesh Subroutine
- Philipp Ruessmann
-
- input-output, k-points, KKRhost
- 19 statements
- Source File
public subroutine rhoq_write_kmesh(nofks, nxyz, volbz, bzkp, volcub, recbv, bravais)
Write the k-mesh to file with its respective weights
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | nofks |
number of points in irreducible BZ |
||
| integer, | intent(in), | dimension(3) | :: | nxyz |
original k-mesh net in the 3 directions of the reciprocal lattice vectors (not xyz directions) |
|
| real(kind=dp), | intent(in) | :: | volbz |
volume of the BZ |
||
| real(kind=dp), | intent(in), | dimension(3, nofks) | :: | bzkp |
k-point mesh |
|
| real(kind=dp), | intent(in), | dimension(nofks) | :: | volcub |
Weight of the k-points |
|
| real(kind=dp), | intent(in), | dimension(3, 3) | :: | recbv |
Reciprocal basis vectors |
|
| real(kind=dp), | intent(in), | dimension(3, 3) | :: | bravais |
Bravais lattice vectors |