allocate_mesh Subroutine
- Jonathan Chico
-
- profiling, profiling, radial-grid, KKRhost
- 46 statements
- Source File
public subroutine allocate_mesh(flag, irm, natyp, a, b, rmesh, drdi)
Subroutine handling the allocation/deallocation of arrays that describe the integration mesh
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | flag | |||
| integer, | intent(in) | :: | irm | |||
| integer, | intent(in) | :: | natyp |
number of kinds of atoms in unit cell |
||
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | a |
Constants for exponential R mesh |
|
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | b | ||
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | rmesh |
Radial mesh ( in units a Bohr) |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | drdi |
Derivative dr/di |