[QE-users] SOC VC-RELAX

[Abiodun Odusanya]

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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