[Pw_forum] Geometry_Optimization

[Paolo Giannozzi]

On Fri, Dec 18, 2015 at 5:41 PM, Mofrad, Amir Mehdi (MU-Student) <
amzf5 at mail.missouri.edu> wrote:
>
> 2. The positions of the sodium atoms are not provided at the end of my
> geometry optimization.
>
this should suggest something, doesn't it? (hint: count the atoms, compare
with the supplied number of atoms "nat")

P.

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151218/aac6e4ae/attachment.html>