[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
===========================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110524/29cdbe0a/attachment.html>
More information about the users
mailing list