Take the mini structure file and view it in xcrysden
Hope this helps.
Chandrika
- Original Message -
From: J.H. Mokkath, FB18 mokk...@uni-kassel.de
To: wien at zeus.theochem.tuwien.ac.at
Sent: Friday, June 27, 2008 11:01 PM
Subject: [Wien] Regarding the bond length of a molecule
Supercell does work for hexagonal systems. Choose H option.
Best of luck
Chandrika
- Original Message -
From: S. H. Sadat Nabi hasan.sa...@lrz.uni-muenchen.de
To: wien at zeus.theochem.tuwien.ac.at
Sent: Thursday, June 19, 2008 12:45 AM
Subject: [Wien] Supercell for Hexagonal structure
Hello all,
How can I obtain Born effective charge and dielectric constant from Wien2k
derivations.
Thank you for your time.
Chandrika
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