Zero reference level
phqu... at gmail.com
Tue Aug 12 22:52:55 CEST 2014
What about MT solver ?
вторник, 12 августа 2014 г., 15:33:56 UTC-4 пользователь Matt W написал:
> If you plot v_hartree_cube in the dft section you can see what is going on
> - this is the electrostatic potential on a grid that you can view with vmd
> or whatever you like.
> For a charge neutral system, the vacuum level (i.e. electrostatic
> potential) should be at 0 (fairly confident for the wavelet Poisson
> solver), or at least a constant if your cell is sufficiently large..
> On Tuesday, August 12, 2014 8:19:54 PM UTC+1, Andrei Buin wrote:
>> I was wondering what is the vacuum level in NON-PERIODIC calculations ?
>> Is zero the vacuum level ?
>> How is it defined ?
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