[Wien] int:rho,tauw,grho,g2rho messages in case.dayfile

Pavel Ondracka pavel.ondracka at email.cz
Mon Oct 27 11:30:56 CET 2014


Dear Wien2k mailing list,

I have recently noticed a lot of messages like this being printed by
lapw0 -p in my case.dayfiles:

int:rho,tauw,grho,g2rho  4.554539522661150E-002  0.120617172558130     
  0.148237064127382       0.224103059146677      tauwrong=
  0.117956979950693

This is with mBJ, and my cases are some quite large amorphous-like
dioxide cells. There are no other errors or warnings and the
calculations are converging well. However as I have never seen those
before, I'm rather checking if those messages are harmless or if this is
a sign of some possible problem and if I should do something about this.

Best regards
Pavel Ondračka



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