On Fri, Nov 29, 2013 at 3:46 AM, Paolo Giannozzi <paolo.giannozzi at uniud.it>wrote:
> It looks like a problem with a symmetry having an > associated fractional translation. It would be > interesting to know whether this problem is still > present in the svn version, and if not, a smaller > test showing the same problem > > Thank you Paolo. Following your suggestions we conducted further tests. The problem persists in the latest svn version. Setting 'force_symmorphic = .true.' or not yields drastically different results. The pseudo-potentials were replaced by those from the pwscf website and without semicores. Accordingly the calculations were significantly faster. Best regards Tao -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131203/27abcd4e/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: Nonsymmorphic.tgz Type: application/x-gzip Size: 202983 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20131203/27abcd4e/attachment.tgz
