mod_testdim Module

Testing the dimension of several arrays

Note

Jonathan Chico: Some of these tests seem unnecessary with the removal of the inc.p


Subroutines

public subroutine testdim(nspin, naez, nemb, natyp, ins, insref, nref, irns, nlayer, krel, nspind, nprincd, knosph, irnsd, korbit, invmod)

License
Creative Commons License
Category
sanity-check, KKRhost

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Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nspin

Counter for spin directions

integer, intent(in) :: naez

Number of atoms in unit cell

integer, intent(inout) :: nemb

Number of 'embedding' positions

integer, intent(in) :: natyp

Number of kinds of atoms in unit cell

integer, intent(in) :: ins

0 (MT), 1(ASA), 2(Full Potential)

integer, intent(in) :: insref

INS for reference pot. (usual 0)

integer, intent(in) :: nref

Number of diff. ref. potentials

integer, intent(inout), dimension (natyp) :: irns

Position of atoms in the unit cell in units of bravais vectors

integer, intent(inout) :: nlayer

Number of principal layer

integer, intent(in) :: krel

Switch for non-relativistic/relativistic (0/1) program. Attention: several other parameters depend explicitly on KREL, they are set automatically Used for Dirac solver in ASA

integer, intent(in) :: nspind

KREL+(1-KREL)*(NSPIN+1)

integer, intent(in) :: nprincd

Number of principle layers, set to a number >= NRPINC in output of main0

integer, intent(in) :: knosph

switch for spherical/non-spherical (0/1) program.

integer, intent(in) :: irnsd
integer, intent(in) :: korbit

Spin-orbit/non-spin-orbit (1/0) added to the Schroedinger or SRA equations. Works with FP. KREL and KORBIT cannot be both non-zero.

integer, intent(in) :: invmod