On 11/24/2016 08:57 PM, Dr. K. C. Bhamu wrote:
> 1. Initialised without any problem.
> 2. runsp_lapw -orb -ec 0.0001 -cc 0.0005 -i 2 -fc 2 works fine
> but if I run
> 3. runsp_c_lapw -orb -ec 0.0001 -cc 0.0005 -i 2 -fc 2 gave me two
> problems:
> hup: Command not found.
> LAPW0 END
Dear Prof. Peter and experts
I tried to run DFT(PBE)+U calculation for hexagonal AgAlO2 structure.
1. Initialised without any problem.
2. runsp_lapw -orb -ec 0.0001 -cc 0.0005 -i 2 -fc 2 works fine but
if I run
3. runsp_c_lapw -orb -ec 0.0001 -cc 0.0005 -i 2 -fc 2 gave me two
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