[Wien] lapw2c unknown error

2013-03-12 Thread Azadeh Beiranvand
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:

[Wien] lapw2c unknown error

2013-03-12 Thread Gavin Abo
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

[Wien] an unknown error

2012-09-29 Thread Muhammad Sajjad
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

[Wien] an unknown error

2012-09-18 Thread Muhammad Sajjad
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

[Wien] an unknown error

2012-09-18 Thread Gavin Abo
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