[QE-users] SCAN + SOC in QE

[Kamel Demmouche]

Dear All,

I posted my inquiry few days ago but still not having answers or
suggestions so I tried to post it again,

I need  help to find a calculation recipe. My goal is to perform band
structure calculation using metaGGA + SOC in espresso. Unfortunately this
is not yet implemented, so I am looking for a recipe to obtain an
approximate picture of band structure.
Is it correct to do the following:
step 1: SCF metaGGA with spin polarized (no SOC) on regular k-mesh
step 2: non-SCF GGA + SOC along high symmetry k-line
or
step 1: SCF GGA + SOC on regular k-mesh
step 2: non-SCF metaGGA with spin polarized (no SOC) along high symmetry
k-line

otherwise any other suggestions ! thanks in advance

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