[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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