Not this. If your calculation with run_vnonloc_lapw ran properly, then the following scf files should have been created:
case_SLATER_updated_1.scf case_SLATER_fixed_1.scf case_SLATER_updated_2.scf case_SLATER_fixed_2.scf case_SLATER_updated_3.scf case_SLATER_fixed_3.scf etc. Are there such files in the directory? On Wednesday 2017-06-28 14:31, apa...@iitk.ac.in wrote:
Date: Wed, 28 Jun 2017 14:31:38 From: apa...@iitk.ac.in Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] Problem Regarding SLATER Calculations The following scf files were created in the directory: case.scf case.scf0 case.scfm case.scf1dn case.scf1up case.scf2dn case.scf2up case.scfcdn case.scfcup case.scf0_grr The band gap was read from case.scf2up or case.scf2dn (both had same values) With Regards Aditya Pande _______________________________________________ Wien mailing list Wien@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@zeus.theochem.tuwien.ac.at/index.html
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