[Wien] L2main - QTL-B Error with spin-orbit caluclation

2012-02-18 Thread Ghosh SUDDHASATTWA
LAPWSO END L2main - QTL-B Error > stop error Thank you for helps. Sincerely, sufyan Naji -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120218/69a1618b/attachment.htm>

[Wien] L2main - QTL-B Error with spin-orbit caluclation

2012-02-18 Thread sufyan
___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120218/5ab439c5/attachment.htm>

[Wien] L2main - QTL-B Error with spin-orbit caluclation

2012-02-18 Thread sufyan
stop error >> >> >> Thank you for helps. >>Sincerely, >>sufyan Naji >> >> ___ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120218/cd4eb690/attachment.htm>

[Wien] L2main - QTL-B Error with spin-orbit caluclation

2012-02-18 Thread Laurence Marks
Please be more specific: 1. What RMTs (all atoms)? 2. What RKMAX? 3. What linearization energies? 4. Which states are being searched versus fixed? 5. What version? 6. Which states are semi-core? 7. Which states are giving ghost-bands? 8. Why are you using 2.1 when you already have converged results

[Wien] scf error (supercell)

2012-02-18 Thread Saba Sabeti
ould you please help me in solving this problem? thank you so much in advance regards -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120218/ee835738/attachment.htm>

[Wien] scf error (supercell)

2012-02-18 Thread Gavin Abo
stem. > would you please help me in solving this problem? > thank you so much in advance > regards > > > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120218/8288f1dc/attachment.htm>