Dear WIEN2k users,
I am running WIEN2k 17.1 on Beowulf style clusters with a CentOS 7 Linux
system. I am using WIEN2k to get optical properties of MoS2 using the non-local
van der Waals functionals in WIEN2k 17.1.
I am using a 2x2x1 supercell with Rkmax=6.5 and 1 kpoint under the influence of
t
I suspect that the LAPW0 error comes first before the case.rho_74
error. However, I could be wrong as I'm not that familiar with the
nlvdw calculations.
It would help a little to know where those error appear. The standard
output/error file from the job?
R2V files not present, which are re
I cannot remember if Fabien posted a patch, but there are (many) problems
with this script if you run it on too many parallel nodes, I don't think
you can use more than a few. I think this has already come up on the list.
---
Professor Laurence Marks
"Research is to see what everybody else has see
3 matches
Mail list logo