[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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