RKMAX is well described in the User Guide.
In general I don't hold the hands of people doing simple calculations such
as a GaN supercell, and I don't think other people will either -- unless
you want to pay?
Research involves working things out for yourself, and only asking the
harder questions
Thanks for your kind reply.I am trying to run GaN supercell with 12 parallel
processors. But want to know about k points for this.Please also guide me about
RTMAX
Original message From: Laurence Marks
Date: 3/12/19 7:34 PM (GMT+05:00) To: A Mailing
list for WIEN2k users
The number of k-points needed depends upon:
a) Whether you are doing a pre-convergence, e.g. MSR1a or a final
convergence.
b) The size of the cell
c) Whether you have a metal or an insulator (partially occupied states at
E_F)
d) The atomic number -- high Z can converge worse -- and whether you
How many k points should be selected for 8 parallel processors selection in
wein2k..What is general relation between the two?___
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