[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
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