Dear All
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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