[Wien] quick start

[Javad hashemifar]

>
> I am running wien version 08 on a machine of DELL PRECISION T5400 with
> operating system Fedora9,
> Fortran compiler Intel Fortran 10.1.015 and math libraries Intel MKL
> 10.0.1.014.
> I escaped from the troble of the userconfig_lapw last week.
> Thank you for the helps of Dr. Peter Blaha and Dr. Tomo.
> Now, I go to the next step, trying the quick start.
> I accessed w2web and try to create the master input file, "TiC",
> but StructGen does not calcurate symmetry.


the job of StructGen is streuct file generaration not symmetry calculation.
After generation of the struct file by using structgen you are recommended
to verify it (for example by xcrysden) and then start initialization. The
second (sgroup) and third (symetry) stages of initialization procedure are
responsible for symmetry analysis.

SJ Hashemifar




-- 
======================================
Seyed Javad Hashemifar, Ph.D.
current address:
Physics Department, University of Duisburg-Essen,
47057 Duisburg, Germany
Tel:+49 203 379 4743 Fax:+49 203 379 4742
permanent address:
Physics Department, Isfahan University of Technology
84154 Isfahan, Iran
Tel: +98 311 391 2375 Fax:+98 311 3912376
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