[Wien] monoclinic crystal structure calculations
Da Gao
dagao at exchange.uta.edu
Thu May 5 18:11:46 CEST 2005
Dear WIEN2k users,
In the WIEN2k User's Guide page 39, there is a warning about the
monoclinic crystal structure calculation. I am wondering if WIEN2k has
fixed the bug and be able to do
the monoclinic crystal structure calculations ? If so, then where can I
get the sample input and test it.
Also, if anyone know how to calculate the atomic energy using WIEN2k, I
appreciate your inputs here very much.
Many Thanks !
Da
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