[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)

Thanks
-- 
==========================================
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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