mod_symtaumat Module
Find the symmetry matrices DROT that act on t, tau
KREL=0: for real spherical harmonicsKREL=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
Uses
-
- mod_datatypes
Subroutines
public subroutine symtaumat(rotname, rotmat, drot, nsym, isymindex, symunitary, nqmax, nkmmax, nq, nl, krel, iprint, nsymaxd)
- License
- Category
- single-site, k-points, KKRhost
F i n d
t h e
s y m m e t r y
m a t r i c e s
D R O T
t h a t
a c t
o n
t
,
t
a
u
Arguments
| Type | Intent | Optional | 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 |