symtaumat Subroutine

public subroutine symtaumat(rotname, rotmat, drot, nsym, isymindex, symunitary, nqmax, nkmmax, nq, nl, krel, iprint, nsymaxd)

Uses

Find the symmetry matrices DROT that act on t, tau

  • KREL=0: for real spherical harmonics
  • KREL=1: for relativistic represntation

The NSYM allowed symmetry operations are indicated by ISYMINDEX in the table ROTMAT. For KREL=1, SYMUNITARY=T/F indicates unitary/antiunitary symmetry operation.

The routine determines first the Euler angles correponding to a symmetry operation. Reflections are decomposed into inversion + rotation for this reason

Arguments

Type IntentOptional Attributes Name
character(len=10) :: rotname(64)
real(kind=dp) :: rotmat(64,3,3)
complex(kind=dp) :: drot(nkmmax,nkmmax,48)
integer :: nsym
integer :: isymindex(nsymaxd)
logical :: symunitary(48)
integer :: nqmax
integer :: nkmmax
integer :: nq
integer :: nl
integer :: krel
integer :: iprint
integer :: nsymaxd