mod_symetrmat Module
- V. Popescu
-
- 29 statements
- Source File
Symmetrising the t/G matrix (or their inverses).
IQS - set outside the routine - has either the same value regardless of i
(e.g. in case of the single-site matrices or is taking on the value of i => MATSYM
is a cummulative sum over MATQ[1...nsym] (e.g. in case of the BZ-integration of G)
Note
CPREF = 1/NSYM or 1/VBZ
Uses
-
- mod_datatypes
Subroutines
public subroutine symetrmat(nsym, cpref, dsymll, symunitary, matq, iqs, matsym, lmmaxd, nsymaxd)
- Author
- V. Popescu
- License
- Category
- single-site, numerical-tools, k-points, KKRhost
Symmetrising the t/G matrix (or their inverses)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | nsym | ||||
| complex(kind=dp) | :: | cpref | ||||
| complex(kind=dp) | :: | dsymll(lmmaxd,lmmaxd,nsymaxd) | ||||
| logical | :: | symunitary(nsymaxd) | ||||
| complex(kind=dp) | :: | matq(lmmaxd,lmmaxd,*) | ||||
| integer | :: | iqs(nsymaxd) | ||||
| complex(kind=dp) | :: | matsym(lmmaxd,lmmaxd) | ||||
| integer | :: | lmmaxd | ||||
| integer | :: | nsymaxd |