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  • 0 ; SIGMA = 0.01 KPAR = 2 NBANDS = 128 LOPTICS = .TRUE. ; LPEAD = .TRUE. OMEGAMAX = 40 We use exact diagonalization for this step (ALGO=EXACT) and keep 128
    6 KB (791 words) - 13:20, 14 November 2019
  • calculation should be the same! LOPTICS = .TRUE.; LPEAD = .FALSE. ISYM = -1 OMEGAMAX = 40 Finally the averaging over multiple grids should should give spectra
    6 KB (1,027 words) - 13:47, 14 November 2019
  • E-8 NBANDS = 16 LOPTICS = .TRUE. # needed for WAVEDER file LPEAD = .TRUE. OMEGAMAX = 40 The KPOINTS file will be automatically generated in this example.
    7 KB (1,046 words) - 14:17, 14 November 2019
  • be set by OMEGAMAX in the INCAR. For instance to evaluate the CRPA interaction matrix at ω = 10 {\displaystyle \omega =10} eV, add OMEGAMAX = 10 to the
    9 KB (1,423 words) - 08:47, 14 November 2019