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- Wed Mar 21, 2012 1:11 pm
- Forum: Ground state
- Topic: Fermi Energy : ELK vs ABINIT
- Replies: 1
- Views: 2022
Fermi Energy : ELK vs ABINIT
I calculate Band structure for Ag in both ELK and ABINIT codes. Though the band structure is similar in all directions but surprisingly the Ef is shifted upward ~6.3 eV in ABINIT as compared to ELK. The actual Fermi energy in ABINIT is as follows. Fermi (or HOMO) energy (hartree) = -0.03070 Average ...