[Pw_forum] How to calculate the properties of free OH
giannozz at nest.sns.it
Tue Oct 23 17:25:57 CEST 2007
On Oct 23, 2007, at 9:36 , shoutian sun wrote:
> please set nelec=... in the NAMELIST&SYSTEM in the input
> file of pw.x.
this is not needed, unless one wants to make a calculation
for a non neutral system.
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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