Dear all,
I have tried doing a vc-relax on the attached TiO*2 *rutile supercell, but the calculations stop after a few seconds 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/20110907/7239ed27/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: TiOsc.scf.in1 Type: application/octet-stream Size: 3618 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110907/7239ed27/attachment.obj