[Wien] lapw1 error
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu Jul 17 09:19:33 CEST 2008
Your attached output1 file is NOT complete !!
It crashed for the 223th k-point.
Decrease RKmax.
Dear Marks,
Thanks for your reply. I applied your suggestion. If i run "x lapw1", without any error it gives case.output1 file. For scf, it gives error in lapw1. i attached case.output1
file in zip folder with this mail. I am not able to locate the error in case.output1 file. Any reply about this error will be helpful.
Thanks in advance.
Regards,
santhy jaiker
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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