outtmathost Subroutine

public subroutine outtmathost(alat, ins, krel, kmrot, nspin, naez, lmmax0d, bravais, rbasis, qmtet, qmphi, e2in, tk, npol, npnt1, npnt2, npnt3)

Uses

Writes out the header of the t-matrices decimation file

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: alat

Lattice constant in a.u.
integer, intent(in) :: ins

0 (MT), 1(ASA), 2(Full Potential)
integer, intent(in) :: krel

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

0: no rotation of the magnetisation; 1: individual rotation of the magnetisation for every site
integer, intent(in) :: nspin

Counter for spin directions
integer, intent(in) :: naez

Number of atoms in unit cell
integer, intent(in) :: lmmax0d

Maximum l component in wave function expansion
real(kind=dp), intent(in), dimension(3,3) :: bravais

Bravais lattice vectors
real(kind=dp), intent(in), dimension(3,*) :: rbasis

Position of atoms in the unit cell in units of bravais vectors
real(kind=dp), intent(in), dimension(*) :: qmtet

angle of the agnetization with respect to the z-axis
real(kind=dp), intent(in), dimension(*) :: qmphi

angle of the agnetization with respect to the z-axis
real(kind=dp), intent(in) :: e2in
real(kind=dp), intent(in) :: tk

Temperature
integer, intent(in) :: npol

Number of Matsubara Poles (EMESHT)
integer, intent(in) :: npnt1

number of E points (EMESHT) for the contour integration
integer, intent(in) :: npnt2

number of E points (EMESHT) for the contour integration
integer, intent(in) :: npnt3

number of E points (EMESHT) for the contour integration