[Pw_forum] (no subject)

Winfred Mulwa mulwawinfred at yahoo.com
Wed Sep 7 14:22:30 CEST 2011


Dear all

       I have tried doing a vc-relax on the attached TiO2 rutile supercell,
the calculations stop after a few minutes without giving any error. 

What might be the problem?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110907/63d5859b/attachment-0001.htm 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: TiOsc.scf.in1
Type: application/octet-stream
Size: 3619 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110907/63d5859b/attachment-0001.obj 


More information about the Pw_forum mailing list