[Wien] basic-question-about-PORT-mini
Fecher, Gerhard
fecher at uni-mainz.de
Wed Feb 17 08:17:08 CET 2016
The series of subroutines is easy,
The main program is obviously mini
this calls haupt
....
How much do you know about Fortran ?
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 Amir lot [lot.amir at yahoo.com]
Gesendet: Mittwoch, 17. Februar 2016 04:36
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] basic-question-about-PORT-mini
Dear Prof. Blaha and and Prof. Marks,
Thanks for your reply.
But i think the main step of min_lapw program is "SRC_mini".
I have checked it ( SRC_mini) for several times but i could not understand it
because the job of subroutines are not clear.
For example, which program reads or makes struct file or which one checks symmetry for generates equivalent positions and ...
With best,
Amir
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