Dear Professor,
please clarify the following;
(1) *Cubic elast calulation-reg*
We are getting different c11,c12,c44 values with respect to different wien
versions viz wien 9.2 wien10.1 and wien13.1 (for same input parameters for
the compound Rh3V)
How to go with it? kindly give me your ideas where
Dear M. Sundareswari ,
1)
I don't know howmuch this difference is for different ver. of WIEN2k.
I think this difference can be for different version of mixer program.
You can improve it if increase the value of energy convergency (-ec 0.1 or
-ec 0.01).
2)
what is your COMMAND RUN
2 matches
Mail list logo
