Hello
I work on b-Ga2O3 and want find the best rkmax for later computation
I read Density Functional Theory andthe Family of (L)APW-methods.
I set rmt automatically 3 percent and I find the best kpoint=1500 and for
finding RKmax I draw ENE and EFG DIAGRAM WITH THREE METHOD: LAPW ,
APW+lo( only
> I work on b-Ga2O3 and want find the best rkmax for later computation
> I read Density Functional Theory andthe Family of (L)APW-methods.
> I set rmt automatically 3 percent and I find the best kpoint=1500 and
> for finding RKmax I draw ENE and EFG DIAGRAM WITH THREE METHOD: LAPW
> , APW+l
2 matches
Mail list logo