[Wien] (no subject)

ben amara imen imen.benamara5 at gmail.com
Mon Sep 24 17:27:44 CEST 2012


 i'm working  on supercell 2*2*1 , when i have executed the lstart file , i
have this error :

  recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)
                5: LSDA
               11: WC-GGA (Wu-Cohen 2006)
               19: PBEsol-GGA (Perdew etal. 2008)
  SELECT ENERGY to separate core and valence states:
  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
  ALTERNATIVELY: specify charge localization
  (between 0.97 and 1.0) to select core state
*invalid atomic configuration*
1.844u 0.140s 0:15.23 13.0%	0+0k 0+5760io 0pf+0w

Can someone help me please  ?? and  Thanks in advance !
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