subject:"\[Wien\] thebest rkmax"

[Wien] thebest rkmax

2011-09-06 Thread bs bs

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

[Wien] thebest rkmax

2011-09-06 Thread Stefaan Cottenier

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(