[Wien] (no subject)

[kalsoom Khan]

Dear All
I am doing SCF but i get ths problem in initialization

>   lstart      (20:57:50)   SELECT XCPOT:
  recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)
                5: LSDA
               11: WC-GGA (Wu-Cohen 2006)
               19: PBEsol-GGA (Perdew etal. 2008)
13
  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
-9.8
LSTART ENDS
0.140u 0.016s 0:06.17 2.4%      0+0k 0+1056io 0pf+0w
ERROR !!! nstop,iter,tets,test 362 1 9.999999974752427E-007 nstop,iter,tets,test 362 1 9.999999974752427E-007 nstop,iter,tets,test 362 1 9.999999974752427E-007 nstop,iter,tets,test 362 1 9.999999974752427E-007
You have to change your atomic configuration in Ce2PdIn8.inst
-----> continue with kgen or edit the Ce2PdIn8.inst file and rerun lstart (c/e)

Please help me in solving the problem
with best regards
KKhan
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