[Pw_forum] (no subject)
Kai-Felix Braun
kai_braun at gmx.de
Fri Jan 14 19:03:35 CET 2005
Hi,
I a doing an scf run with Au,C,S and H atoms and am using the PBE
pseudopotentials from the pwscf web page. I am getting
warning: negative or imaginary core charge -0.000003 0.000000
Initial potential from superposition of free atoms
Warning: negative or imaginary starting charge -0.000128 0.000000 1
starting charge =1596.46596
What needs to be done in this case ? Is this related to the pseudopotentials
?
Regards
Kai Braun
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