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
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'CORE' - NSTOP= 362 positive eigenvalue for 3S Atom: 0 Zn1
'CORE' - Try to apply a potential shift in case.inc
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my case.in0 is this.
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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
Regards:
Yasir Ali
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