allocate_potential Subroutine
- Jonathan Chico
-
- profiling, profiling, potential, KKRhost
- 124 statements
- Source File
public subroutine allocate_potential(flag, irm, natyp, npotd, ipand, nfund, lmxspd, lmpot, irmind, nspotd, nfu, irc, ncore, irmin, lmsp, lmsp1, ircut, lcore, llmsp, ititle, visp, ecore, vins)
Subroutine handling the allocation/deallocation of arrays that describe the potential
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 |
||
| integer, | intent(in) | :: | npotd |
2*NATYP |
||
| integer, | intent(in) | :: | ipand | |||
| integer, | intent(in) | :: | nfund | |||
| integer, | intent(in) | :: | lmxspd | |||
| integer, | intent(in) | :: | lmpot | |||
| integer, | intent(in) | :: | irmind | |||
| integer, | intent(in) | :: | nspotd | |||
| integer, | intent(inout), | dimension (:), allocatable | :: | nfu | ||
| integer, | intent(inout), | dimension (:), allocatable | :: | irc |
R point for potential cutting |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | ncore |
Number of core states |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | irmin |
Max R for spherical treatment |
|
| integer, | intent(inout), | dimension (:, :), allocatable | :: | lmsp |
0,1 : non/-vanishing lm=(l,m) component of non-spherical potential |
|
| integer, | intent(inout), | dimension (:, :), allocatable | :: | lmsp1 | ||
| integer, | intent(inout), | dimension (:, :), allocatable | :: | ircut |
R points of panel borders |
|
| integer, | intent(inout), | dimension (:, :), allocatable | :: | lcore |
Angular momentum of core states |
|
| integer, | intent(inout), | dimension (:, :), allocatable | :: | llmsp |
lm=(l,m) of 'nfund'th nonvanishing component of non-spherical pot. |
|
| integer, | intent(inout), | dimension (:, :), allocatable | :: | ititle | ||
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | visp |
Spherical part of the potential |
|
| real(kind=dp), | intent(inout), | dimension (:, :), allocatable | :: | ecore |
Core energies |
|
| real(kind=dp), | intent(inout), | dimension (:, :, :), allocatable | :: | vins |
Non-spherical part of the potential |