Dear Prof. Blaha
There are some RKmax related errors in parallel OPTIC
program(WIEN2k_11.1). My system is monolayer MoS2 with slab model, I
just want to calculate the momentum operator elements by using OPTIC
program. If I do serial calculation and set RKmax = 7 or 9 in
case.in1c, ?all will be OK.
Hard to say.
I do not see any connection between the error and a parallel/non-parallel
calculation, except maybe that your computers are overloaded and run out of
memory
or some other limits due to the many parallel jobs.
Am 22.12.2011 20:08, schrieb wanxiang feng:
> Dear Prof. Blaha
>
> There ar
2 matches
Mail list logo