[Wien] large system calculation
abdel Mar..
abdel3a000 at hotmail.fr
Thu Jun 20 11:02:49 CEST 2013
Dear Wien2k users,
i never worked on a large system (~ 350 Atoms), I appeal to your experience to give me some recommnadations
to save calculations time, the aim is to simulate the optical properties...:
method (LAPW / APW ...), Rkmax, Gmax, k points , diagonalization...?
thank you
Regards
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