[Wien] (no subject)

mouhamed mahdi mouh2009 at gmail.com
Tue Jun 18 13:21:47 CEST 2013


Dear wien users
I have wien2k_12 ,whith ubuntu 12.04 ,
i worke with GdCo3 structure Spacegroup: 166 (R-3m)
 and in lstart i got this msg:

:WARNING:     7.046  Gd   CORE electrons leak out of MT-sphere !!!!
:WARNING:     touch .lcore and run scf-cycle with core density superposition
:WARNING:     Or: rerun lstart with lower E-core separation energy
:WARNING:     ORBITAL:  4D    -10.796   -10.353LSTART ENDS
 0.6u 0.0s 0:00.71 98.5% 0+0k 0+1032io 0pf+0w

please help .
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