[Wien] selecting k-path from command line

Fecher, Gerhard fecher at uni-mainz.de
Fri Nov 27 07:28:42 CET 2015


why don't you just copy the xcrysden.klist to your actual case after you produced it once

(in similar way you may replace the existing predefined cases)

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-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Yundi Quan [quanyundi at gmail.com]
Gesendet: Freitag, 27. November 2015 07:19
An: A Mailing list for WIEN2k users
Betreff: [Wien] selecting k-path from command line

Is there an existing code for selecting k-path using command line? I have about 30 cases of scf results and selecting k-path one by one using xcrysden is not a good use of time.

Thanks.


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