This is not VX_S, but VX_SLATER. Be aware that calculations with the Slater potential are very expensive.
FT On Monday 2017-04-10 10:25, Subrata Jana wrote:
Date: Mon, 10 Apr 2017 10:25:35 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] slater-exchange-calculation Dear wien2k users,I am doing calculation using slater potential. After initialization using PBE i snanged case.in0 accordingly TOT EX_NONE EC_NONE VX_S VC_NONE (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSS) NR2V IFFT (R2V) 40 40 40 2.00 1 min IFFT-parameters, enhancement factor, iprint But it shows error during SCF calculation. Please help me to get rid of this problem. With Regards, Subrata Jana NISER, INDIA
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