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General Questions and Answers / VASP Band Structure Projection onto Specific Atomic Orbitals
« on: December 29, 2023, 23:55 »
Hello,
I performed VASP calculations of a band structure. Everything looks good to me. I want to use QuantumATK to project that band structure onto specific atomic orbitals. How can I do it? I can see all spin up and spin down, but can I view specific orbitals. I want to see if p orbitals are above or below other orbitals.
Thanks,
Vitaliy
I performed VASP calculations of a band structure. Everything looks good to me. I want to use QuantumATK to project that band structure onto specific atomic orbitals. How can I do it? I can see all spin up and spin down, but can I view specific orbitals. I want to see if p orbitals are above or below other orbitals.
Thanks,
Vitaliy