testdim Subroutine

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

Uses

    • mod_runoptions

Testing the dimension of several arrays

Note

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

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