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

[Gavin Abo]

For some information regarding "tauwrong", see:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-December/015867.html
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-July/015038.html

On 10/27/2014 4:30 AM, Pavel Ondracka wrote:
> 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