[Pw_forum] "Not orthogonal operation" error in vc-relax optimization

Seyed Mojtaba Rezaei Sani s.m.rezaeisani at gmail.com
Tue May 24 08:05:12 CEST 2011

Dear all

My vc-relax opt, although I set cell dynamics='damp-w',ends with this error

>  from checkallsym : error #         2
>  not orthogonal operation

Is there any suggestion for solving that?
(If anyone thinks about using nonsymmetric cell, I will send my input file
and will be grateful to learn how it can be)

Seyed Mojtaba Rezaei Sani
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel Lab: +98 311 391 3731
s.rezaeisani at ph.iut.ac.ir
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