[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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