Dear Peter,Thank you very much for your guide and help.Sorry for my delay for
replying.With best,Morteza
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Subject: Re: [Wien] Error in IRelast initialization for tetragonal structure |
too many arguments
Never used IRelast myself.
Anyway, the fix is simple: In set_elast_lapw change
set sym=`sgroup -wi $file.struct | grep "Bravais"|cut -c18-18`
to
set sym=`sgroup -wi $file.struct | grep "
Never used IRelast myself.
Anyway, the fix is simple: In set_elast_lapw change
set sym=`sgroup -wi $file.struct | grep "Bravais"|cut -c18-18`
to
set sym=`sgroup -wi $file.struct | grep "Bravais lattice:"|cut -c18-18`
Apparently it was not considered that sgroup might give also a message
that
Dear Developer and user,
So far, I did not get any answer for error in initialization of IRelast using
{set_elast_lapw} script.
Structure is tetragonal {87_I4/m }. In my previous mail, I already sent
structure file.
error was {at the end of set_elast_lapw script}
--
Dear user,
I am facing following error during the initializaiton of IRelast for tetragonal
structure:
==
>GMAX (default: automatically):
For 2D-BZ meshes, better use TEMP and not TETRA in case.in
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