re if WIENncm is going to solve this problem.
Thanks,
Fhokrul
*From:* Wien on behalf of
Peter Blaha
*Sent:* Wednesday, February 28, 2018 4:26 PM
*To:* wien@zeus.theochem.tuwien.ac.at
*Subject:* Re: [Wien] Component of
run:
x lapwdm -up -so and check the case.scfdmup file.
On 02/28/2018 11:50 AM, Md. Fhokrul Islam wrote:
Hi Prof Blaha and Wien2k users,
I am interested in calculating expectation values of different
components of spin operator for a given quantization direction for a
surface calculation. M
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