[Wien] problem with lapw1 during supercell calculations

2011-05-21 Thread Pooja Rana
with kind regards, Pooja Rana -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110521/241e3f0a/attachment.htm

[Wien] e-mails

2011-05-21 Thread Peter Blaha
I've unsubscribed you. PS: If somebody is using the code in your group, he should subscribe to keep up to date about bug reports, new versions,... Otherwise I fully understand: there are many mails Am 21.05.2011 01:50, schrieb Renata Wentzcovitch: Dear Peter, the number of e-mails I

[Wien] problem with lapw1 during supercell calculations

2011-05-21 Thread Peter Blaha
It does not help to repeat the same question again. With this info, nobody can help. Am 21.05.2011 09:44, schrieb Pooja Rana: Respected Prof. Blaha and dear Wien2k users I am facing problem with lapw1 during scf of supercell in NaCl structure. The error as: lapw1.error 'SELECT' - no energy