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- LDOS: LORBIT = 11 workfunction: IDIPOL = 3 LDIPOL = .TRUE. LVHAR = .TRUE. # LVTOT = .TRUE. For the calculation of the DOS we use a tetrahedron method with...3 KB (566 words) - 14:16, 14 November 2019
- ISMEAR = 2 ; SIGMA = 0.2 ALGO = Fast EDIFF = 1E-6 special: LVHAR = .TRUE. # LVTOT = .TRUE. Run a single point calculation for the Ni(111) clean surface at...3 KB (524 words) - 13:55, 14 November 2019