[Pw_forum] Local Potential
Nkosinathi Malaza
nuttymalaza at gmail.com
Thu Oct 8 11:50:52 CEST 2015
Hi All,
On the out put file below what is the Local Potential Energy (Avg_local)?
ESM Charge and Potential
========================
z (A) Tot chg (e/A) Avg v_hartree Avg v_local Avg v_hart+v_loc
(eV) (eV)
(eV)
==========================================================================
-15.27 0.0033 8719.6610967 -8718.3436135 1.3174832
-15.21 0.0027 10734.3266981 -10732.7006968 1.6260013
Kind regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151008/e6fea2c0/attachment.html>
More information about the users
mailing list