allocate_magnetization Subroutine
- Jonathan Chico
-
- profiling, profiling, KKRhost
- 56 statements
- Source File
public subroutine allocate_magnetization(flag, naez, natyp, lmmaxd, inipol, ixipol, qmtet, qmphi, drotq)
Subroutine handling the allocation/deallocation of arrays that describe the magnetization
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | flag | |||
| integer, | intent(in) | :: | naez |
number of atoms in unit cell |
||
| integer, | intent(in) | :: | natyp |
number of kinds of atoms in unit cell |
||
| integer, | intent(in) | :: | lmmaxd | |||
| integer, | intent(inout), | dimension (:), allocatable | :: | inipol |
Initial spin polarisation |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | ixipol |
Constraint of spin pol. |
|
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | qmtet | ||
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | qmphi | ||
| complex(kind=dp), | intent(inout), | dimension (:, :, :), allocatable | :: | drotq |
Rotation matrices to change between LOCAL/GLOBAL frame of reference for magnetisation <> Oz or noncollinearity |