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
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.
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
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