Dear Wien2k users
                           I am new to wien2k. I want to know how to dope
any material in wien2k. Experimentally I know how to do it but in wien2k I
am unaware of it. For eg. If I want to dope ZrTe5  with Ni of 20
concentration or something else. Experimentally I know at which atom Ni
sits and I can assign wyckoff position of that atom to nickel. So please
explain me in very simple way how to do it in wien2k. And my second
question is regarding TEMP by smearing. What is the use of this function.
I'll really grateful to you for the help

Thanking you in advance
Mandeep Kumar Hooda
Wien mailing list

Reply via email to