pseudopotentials, crystal structure (cell and positions of the atoms) and ecutwfc kind regards
On 20 October 2015 at 09:06, Lorenzo Paulatto <[email protected]> wrote: > pseudopotentials, crystal structure (cell and positions of the atoms) and > ecutwfc > kind regards > > > On 19 October 2015 at 20:00, Mofrad, Amir Mehdi (MU-Student) < > [email protected]> wrote: > >> Dear all users, >> >> >> Can anyone tell me what the least needed parameters to do scf >> calculations in quantum espresso are? I would really appreciate it. >> >> >> Thank you, >> >> >> Amir >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Lorenzo Paulatto - Paris > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Université Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 > >
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