[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)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

Due to budget cuts approved by Italian Minister of Finance and Italian
Minister "for" Education, University and Research this may be the last
email you receive from me.

Please send any future correspondence, possibly via pigeon, to
mr. Lorenzo Paulatto
under Roiano Railway Bridge - Pillar 2
34136, Trieste

Donations in food, coins, booze and processor time are warmly welcome.






More information about the users mailing list