Dear Laurence Marks:
Thanks for your suggestions. My version of wien2k is the eldest
one. I have started again after changing the RKMAX. But I have not
changed RMT.
Best,
Jinjun Ren
wrote on 2011-09-06:
> 1. What version of Wien2k are you using? TEMPS has been in for many
> years, and if you are using a very old version nobody can help you.
> 2. Did you start again after changing the RKMAX and RMT, i.e.
> init_lapw or the same via the web?
> 3. Put the attached file in $HOME/bin, do "chmod a+x $HOME/bin/Check"
> then run from a terminal "Check" and post the output.
> On Tue, Sep 6, 2011 at 3:58 AM, Jinjan Ren <ren at uni-muenster.de>
> wrote:
> > Dear Laurence Marks:
> > ? ? ? ? ? ? ? ?Thanks for your suggestions. I have set the RKMAX to
> > 5.5 and
> > ? ? ? ? ? ? ? ?used TEMP instead of TETRA (no TEMPS in our wien2k).
> > But it
> > ? ? ? ? ? ? ? ?still stop due to error:
> > The error information is:
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Research is to see what everybody else has seen, and to think what
> nobody else has thought
> Albert Szent-Gyorgi
