Re: [Wien] mbjlda approximation and experimental lattice constant

2013-04-22 Thread Jameson Maibam
you please clear my doubt. Regards Dr. J. Maibam --Original message-- From: f.t...@pci.uzh.ch To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at Date: Monday, April 22, 2013 8:48:40 AM GMT+0200 Subject: Re: [Wien] mbjlda approximation and experimental lattice constant

[Wien] mbjlda approximation and experimental lattice constant

2013-04-21 Thread Sahra Sahraii
Dear WIEN2k experts I want to use the mbjlda approximation to obtain the band structure of a semiconductor compound, but I don’t know how I can choose the lattice constant. when I studied some articles about this compound, I found that the experimental lattice constant is chosen when the mbjlda