(My apologies if this has already been answered)
In VASP 5.4.4, can we run GW calculations (ALGO = GW) with SOC?
If so, are the tags to incorporate SOC to the calculation simply:
LSORBIT=.TRUE.
SAXIS= 0 0 1
as in a regular SOC calculation with e.g. PBE?
Thank you very much!
GW Calculation with SOC?
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Re: GW Calculation with SOC?
Hi,
According to forum/viewtopic.php?t=16876 it should be possible. As a first test to see if it really works and the results are reasonable, consider one that is computationally cheap (a small system with few k-points).
According to forum/viewtopic.php?t=16876 it should be possible. As a first test to see if it really works and the results are reasonable, consider one that is computationally cheap (a small system with few k-points).