allocate_relativistic Subroutine
- Jonathan Chico
-
- profiling, profiling, KKRhost
- 120 statements
- Source File
public subroutine allocate_relativistic(flag, krel, irm, naez, natyp, zrel, jwsrel, irshift, vtrel, btrel, rmrel, drdirel, r2drdirel, qmgam, qmgamtab, qmphitab, qmtettab)
Subroutine handling the allocation/deallocation of arrays that describe relativistic corrections
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | flag | |||
| integer, | intent(in) | :: | krel | |||
| integer, | intent(in) | :: | irm | |||
| integer, | intent(in) | :: | naez |
number of atoms in unit cell |
||
| integer, | intent(in) | :: | natyp |
number of kinds of atoms in unit cell |
||
| integer, | intent(inout), | dimension (:), allocatable | :: | zrel |
atomic number (cast integer) |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | jwsrel |
index of the WS radius |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | irshift |
shift of the REL radial mesh with respect no NREL |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | vtrel |
potential (spherical part) |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | btrel |
magnetic field |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | rmrel |
radial mesh |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | drdirel |
derivative of radial mesh |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | r2drdirel |
r**2 * drdi |
|
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | qmgam | ||
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | qmgamtab | ||
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | qmphitab | ||
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | qmtettab |