[Wien] question regarding magetic moment

2015-07-18 Thread Rishi Singh
Dear wien users I am unable to know that what is accuracy of magnetic moment calculated by wien2k package. Is it true that its accuracy is not up to .0001 Please help me regarding this. I will be highly obliged. Thanks in advance. kind regard Dr R P Singh

Re: [Wien] core leakage problem

2015-07-18 Thread Muhammad Sajjad
Dear L. Dobysheva Thank you for your suggestions. I have over come the problem. The forces have reached around 1 mRy/**. Now the issue is the Si 100 layer saturated with H but the system is behaving like a metal. I am unable to find its reason or some wrong approach followed in my calculations.

[Wien] Metallic Behavior of Si 100 layer

2015-07-18 Thread Muhammad Sajjad
Dear User After relaxation, the Si 100 layer saturated with H is behaving like a metal. I am unable to find its reason or some wrong approach followed in my calculations. Could you please guide me? Many thanks Muhammad Sajjad ___ Wien mailing list