[Wien] make struct

[MAHDI SALMANI HIRMAND]

Dear Wien2k users,
Is it possible to make struct file of Wien2k within Terminal not W2web?
Yours,
Mahdisa
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[Michael Sluydts]

Hello Mahdisa,

You can either use a text editor and base your struct file on an
existing one or use the wien2k structeditor with Octave (or Matlab)
which will let you create, edit and save structures).


Regards,

Michael Sluydts

Post by MAHDI SALMANI HIRMAND
Dear Wien2k users,
Is it possible to make struct file of Wien2k within Terminal not W2web?
Yours,
Mahdisa
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[Laurence Marks]

The utility cif2struct allows you to import a cif file. Since there are
many programs to view or manipulate cif files, and they are easy to edit
this is what I normally do.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Jun 18, 2013 5:01 AM, "MAHDI SALMANI HIRMAND" <mahdisa_right at yahoo.com>

Post by MAHDI SALMANI HIRMAND
Dear Wien2k users,
Is it possible to make struct file of Wien2k within Terminal not W2web?
Yours,
Mahdisa

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[Peter Blaha]

In the new version WIEN2k_13 (coming out hopefully next week), there is a utility

makestruct_lapw (based on an idea of M.Jamal), which can be used in a terminal and

is very easy to use.

Post by MAHDI SALMANI HIRMAND
Dear Wien2k users,
Is it possible to make struct file of Wien2k within Terminal not W2web?
Yours,
Mahdisa
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien at zeus.theochem.tuwien.ac.at/index.html