[Wien] allowing arbitrary name of the directory containing case files

[Fecher, Gerhard]

use the save to a folder feature
that is, save each of your calculation to an appropriate folder inside Fe, say Fe_5x5x5 or rkm7_5x5x5 or whatever you like to have

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Moustafa, Sabry [sabrygad at buffalo.edu]
Gesendet: Montag, 14. Mai 2018 16:41
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] allowing arbitrary name of the directory containing case files

Hi;

I am new to WIEN2k, so was wondering if one can allow WIEN2k to accept having the directory to have different name from the case.* files? That would be quite useful. Let’s say I have a case of Fe and I want to do k-points convergence test; so, for each k-mesh have to have a subfolder under the case name. Say, 5x5x5/Fe , 10x10x10/Fe , … etc. --- is that true?

Thanks;
Sabry

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Sabry G. Moustafa, Ph.D.
Department of Chemical and Biological Engineering,
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