[Wien] 7.046 Gd CORE electrons leak out of MT-sphere !!!!
mouhamed mahdi
mouh2009 at gmail.com
Tue Jun 18 13:23:14 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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