[Wien] Error in CORE in external field example

[Yasir Ali]

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
 





Regards: 
Yasir Ali
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