[Wien] lstart error with PBEsol
Mohammed EL KHALIFI
melkhali at univ-montp2.fr
Tue Apr 16 16:34:43 CEST 2013
Dear Wien2k users,
I am interested on the EFG calculations with different functional (to
all calculations work well except for PBEsol. during initialization step
I'm facing the following error.
ERROR !!! nstop,iter,tets,test 362 4 9.999999974752427E-007
You have to change your atomic configuration in case.inst
i do not understand why i have to change case.inst, since, it's the same
other functionals (PBE,WC..)
someone has already encountered this kind of situations?
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