mod_pointgrp Module
This subroutine defines the rotation matrices for all the 32 point groups and names them after J.F. Cornwell (Group Theory??) second edition Appendix D, p 324-325
Uses
-
- mod_datatypes
Subroutines
public subroutine pointgrp(rotmat, rotname, writesymfile)
- License
- Category
- numerical-tools, KKRhost
T h i s
s u b r o u t i n e
d e f i n e s
t h e
r o t a t i o n
m a t r i c e s
f o r
a l l
t h e
3 2
p o i n t
g r o u p s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(out), | dimension(64, 3, 3) | :: | rotmat |
Rotation matrices |
|
| character(len=10), | intent(out), | dimension(64) | :: | rotname |
Name of the space group |
|
| logical, | optional | :: | writesymfile |