Hi dear wien2k users and dear P. Blaha I am just struck with error. i am using an external electric field and during run_lapw it gives CORE error. when i opend the error file, it gives a message like _________________________________________ 'CORE' - NSTOP= 362 positive eigenvalue for 3S Atom: 0 Zn1 'CORE' - Try to apply a potential shift in case.inc ______________________________________________
my case.in0 is this. ___________________________________________ TOT 13 (5...CA-LDA, 13...PBE-GGA, 11...WC-GGA) NR2V IFFT (R2V) 40 40 40 2.00 1 min IFFT-parameters, enhancement factor, iprint 30 100.0 (#of FK in E-field expansion, EFELD (Ry) _______________________________________________ Please help in removing thiss error. Regards: Yasir Ali
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