Dear Users, I have a regular conversed scf. But to run a Boltztrap, we need case.energy at higher k-mesh.
I do not know when/how one should run it for a denser mesh. I have two queries here: Que. 1. How to run scf for a denser k-mesh? As per my understanding one has to run A. run a regular scf B. does save_lapw -d case affect out further calculation or not?) C. x kgen 15000 D. x lapw1 -up -orb (for DFT+U) and take case.energy and case.scf from here? Que.2 If I run "x lapw1 -up -orb" then :FER gets change in case.scf file. Should I choose this :FER of from the previous conversed scf? Because for bandstructure calculation we select :FER from a regular conversed scf.
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