[Pw_forum] Warnings
Lorenzo Paulatto
paulatto at sissa.it
Mon Nov 10 15:19:49 CET 2008
Álvaro Alves ha scritto:
>
> Hello everyone. What are the warnings below? This undermines the final
> result?
>
> Initial potential from superposition of free atoms
> Check: negative starting charge=(component1): -0.002147
> Check: negative starting charge=(component2): -0.002147
>
Dear Alves,
your question has been asked many times, you can find the answer in the
mailing list archive. For the future I've (just) written a entry in the
!FAQ, you can read it here:
<http://quantum-espresso.org/wiki/index.php/Frequently_Asked_Questions#Why_do_I_get_.22negative_starting_charge.22.3F>
regards
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
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