Macroscopic dielectric properties
Posted: Wed Jan 20, 2021 4:44 pm
Dear Sir,
I found that the calculating values for "Macroscopic dielectric properties" using VASP 5.4.4 will be different for using different cores in MPI no matter using the strategy via IBRION=6 or IBRION=8 accompanying with LCALCEPS=.TRUE. or LEPSILON=.TRUE.
But my calculations for optimization and band structures do not have this problem.
Could it be a bug in the code or it is a problem depending on how I compile VASP 5.4.4.
Best Regards,
I found that the calculating values for "Macroscopic dielectric properties" using VASP 5.4.4 will be different for using different cores in MPI no matter using the strategy via IBRION=6 or IBRION=8 accompanying with LCALCEPS=.TRUE. or LEPSILON=.TRUE.
But my calculations for optimization and band structures do not have this problem.
Could it be a bug in the code or it is a problem depending on how I compile VASP 5.4.4.
Best Regards,