[Wien] Fwd: RKmax related errors in parallel OPTIC program

2011-12-22 Thread wanxiang feng
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.

[Wien] Fwd: RKmax related errors in parallel OPTIC program

2011-12-30 Thread Peter Blaha
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