Hi all, I want to run an EPW calculation with spin orbit coupling but my structure is a large one, about 40 atoms in the unit cell. The vc-relax calculation with SOC turned on is very expensive on a 12x12x12 grid, can I relax the structure without SOC, then use the structure with SOC turned on for my EPW calculation?
Abiodun Odusanya Graduate Assistant of Mechanical Engineering North Carolina A & T State University 1601 East Market Street Greensboro, NC 27411
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