Thank you dear Gabriele :)
On Thu, Jul 7, 2011 at 5:32 PM, Gabriele Sclauzero wrote:
> Have you looked into the documentation?
>
> See, e.g.
>
> http://www.quantum-espresso.org/input-syntax/INPUT_PW.html#id2469938
>
>
> HTH
>
> GS
>
> Il giorno 06/lug/2011, alle ore 15.10, Mehrnoosh Hazrati ha
Have you looked into the documentation?
See, e.g.
http://www.quantum-espresso.org/input-syntax/INPUT_PW.html#id2469938
HTH
GS
Il giorno 06/lug/2011, alle ore 15.10, Mehrnoosh Hazrati ha scritto:
> Dear QE users,
> I want to calculate the formation energy of my system and need the chemical
Dear QE users,
I want to calculate the formation energy of my system and need the chemical
potential of Nitrogen. I used Example 11, but i don't know how to choose
OCCUPATIONS.
any suggest will be appreciated.
My INPUT :
calculation='scf',
pseudo_dir = './',
outdir='./',
prefix='n',
/
ibrav =1,
