[Wien] New_super.clmsum

赵永红 yongh_zhao518 at 163.com
Wed Nov 26 07:42:20 CET 2008


Dear Prof. Blaha and WIEN2kers,
   I'm sorry to trouble you again. Following is my question.
   When doing volume optimization, command 'x dstart -super' will generate new_super.clmsum. My question is that where and when file new_super.clmsum will be used. Is it necessary to execute 'x dstart -super' in 'optimize.job'? I found I can got different result if I don't execute 'x dstart -super'.

Best wishes.
Sincerely,
Yong-Hong Zhao
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081126/42195007/attachment.html


More information about the Wien mailing list