[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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