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Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Jameela
Fatheema [j.fatheem...@yahoo.com]
Gesendet: Montag, 17. Juli 2017 10:11
An: A. Mailing List for WIEN2k Users
Betreff: [Wien] symmetry problem for spontaneous polarization
Dear all,
I am running wien version 14 on ubuntu 16.
The pu
Planck Institute for Chemical Physics of Solids
01187 Dresden
Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Jameela
Fatheema [j.fatheem...@yahoo.com]
Gesendet: Montag, 17. Juli 2017 10:11
An: A. Mailing List for WIEN2k Users
Betref
Dear all,
I am running wienversion 14 on ubuntu 16.
The purpose of mycalculations is to calculate the spontaneous polarization for
Bi4Ti3O12 tetragonal structure.
I have followed the steps provided by the wien2k UG and the notes that are
available on wien2k site. The space group is I4/mmm whi
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