please dear all
i was studying one paper, in which i read the calculations are converged with
respect to Rmt*Kmax up to 8.0 correspondinding to 29181 plane waves so can
some say me that how i can find the plane waves valve i.e .
with regards
kkhan___
Dear all
I want to know the value relaxation time #964;, which is used as a
constant in the Boltztrap code.
Thanking you
Dr. Sonu Sharma
IIT Mandi (H.P.) India.
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
Someone can correct me if I'm wrong, but I think they are referring to
the PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L) value in
case.outputd.
On 12/17/2013 2:51 AM, kalsoom Khan wrote:
please dear all
i was studying one paper, in which i read the calculations are
converged with respect
He probably means the number of basis functions for the wave function expansion.
Can be found using
grep :RKM case.scf
where both, the effective RKmax and the matrix size (number of APWs+LOs) is
given.
Am 18.12.2013 03:53, schrieb Gavin Abo:
Someone can correct me if I'm wrong, but I think
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