dear all wien users
I have encountered a problem in mini program for Cu2ZnGeSe4 structure.(my
parameters are:rkmax=6,kpoint=52 and structure is tetragonal with I-4 space
group)
when i put convergence on force,after some cycles this error occurs:
in cycle 14ETEST: .1252 CTEST:
Are you using Wien2k 11.1? There was a bug in it:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017010.html
P.S. Wien2k 12.1 is basically a fixed version of 11.1.
On 3/12/2013 3:34 AM, Azadeh Beiranvand wrote:
dear all wien users
I have encountered a problem in mini program for
thank you for your kind response. i can not understand the problem
according to your directions. it is mine fault as i am not much experienced
in Linux. i simply installed wien2k in root directory and now it is working
fine.
On Wed, Sep 19, 2012 at 1:32 PM, Peter Blaha
pblaha at
Respected Group Members
hello.
I re-installed wien2k version 8 on a machine of type Dell Core I5 Desktop
with operating system FEDORA17 (64 BIT) , fortran compiler
l_fcompxe_2013.0.079.
when i start OPT then i found error on clicking 'x sgroup' in
initialization, and the error is
Did you reinstall wien2k in /home/WIEN2K/w2k8/ or another directory? If
another directory, you probably need to adjust the wien2k location for
your environment (.bashrc).
Does sgroup work in a terminal? If it does, but not in w2web, then you
may need to kill and restart w2web.
Where there
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