[Pw_forum] No symmetry found in "nscf" calculation

Paolo Giannozzi p.giannozzi at gmail.com
Fri Aug 25 22:04:15 CEST 2017

On Tue, Jul 18, 2017 at 12:22 AM, Guda Karthik <karthik.guda at gmail.com>

In my "nscf" run subsequent to the scf run the output file says "No
> symmetry found" though the previous scf run was able to identify 48
> symmetry operations

this is impossible: there are 8 symmetries in your structure

>   lberry = TRUE,

lberry sets no symmetry (the correct syntax is lberry = .TRUE. by the way)

Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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