subject:"\[Wien\] BAND GAP USING LB94"

Re: [Wien] BAND GAP USING LB94

2017-05-02 Thread tran

:57, Subrata Jana wrote: Date: Tue, 2 May 2017 06:57:41 From: Subrata Jana <subrata.j...@niser.ac.in> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: wien@zeus.theochem.tuwien.ac.at Subject: [Wien] BAND GAP USING LB94 Dear Wien2k users,I want to calcul

[Wien] BAND GAP USING LB94

2017-05-01 Thread Subrata Jana

Dear Wien2k users, I want to calculate band gap using LB94 potential. As it is a potential only and no energy expression available for this potential. So would you please tell me what is the procedure to use this potential after PBE calculation ?? with regards, Subrata Jana