allocate_locals_tmat_newsolver Subroutine
public subroutine allocate_locals_tmat_newsolver(allocmode, irmdnew, lmpot, nspin, vins, aux, ipiv, tmat0, tmatll, alpha0, dtmatll, alphall, dalphall, jlk_index, nsra, lmmaxd, nth, lmax, vnspll, vnspll0, vnspll1, vnspll2, hlk, jlk, hlk2, jlk2, tmatsph, ull, rll, sll, rllleft, sllleft)
Uses
-
- mod_runoptions
- mod_constants
- mod_save_wavefun
- global_variables
- mod_datatypes
- mod_profiling
calculation Author: Philipp Ruessmann Category: single-site, profiling, KKRhost Deprecated: False Wrapper routine for the allocation/deallocation of the arrays for the t-matrix calculation.
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | allocmode |
allocation mode (1: allocate and initialize, other: deallocate) |
||
| integer, | intent(in) | :: | irmdnew |
number of radial points in Chebycheb mesh |
||
| integer, | intent(in) | :: | lmpot |
lm-cutoff of potential expansion |
||
| integer, | intent(in) | :: | nspin |
number of spin channels |
||
| real(kind=dp), | intent(inout), | allocatable | :: | vins(:,:,:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | aux(:,:) | ||
| integer, | intent(inout), | allocatable | :: | ipiv(:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | tmat0(:,:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | tmatll(:,:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | alpha0(:,:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | dtmatll(:,:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | alphall(:,:) | ||
| complex(kind=dp), | intent(inout), | allocatable | :: | dalphall(:,:) | ||
| integer, | intent(inout), | allocatable | :: | jlk_index(:) | ||
| integer, | intent(in) | :: | nsra |
scalar-relativistic (nsra=2) or non-relativistic (nsra=1) |
||
| integer, | intent(in) | :: | lmmaxd |
cutoff of combined (l,m,s) index |
||
| integer, | intent(in) | :: | nth |
number of OpenMP threads |
||
| integer, | intent(in) | :: | lmax |
lmax cutoff |
||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | vnspll | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :) | :: | vnspll0 | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | vnspll1 | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :) | :: | vnspll2 | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :) | :: | hlk | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :) | :: | jlk | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :) | :: | hlk2 | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :) | :: | jlk2 | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :) | :: | tmatsph | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | ull | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | rll | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | sll | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | rllleft | ||
| complex(kind=dp), | intent(inout), | allocatable, dimension (:, :, :, :) | :: | sllleft |