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  • NBANDS = 24 Run the hybrid functional calculation and call wannier90 (see LWANNIER90_RUN). . INCAR (see INCAR.hse_with_wannier90) ISMEAR = 0 SIGMA = 0.01 LHFCALC
    7 KB (938 words) - 14:18, 14 November 2019
  • the ## WAVEDER file is not read correctly NBANDS = 64 ##VASP2WANNIER90 LWANNIER90=.TRUE. Use the wannier90.win file given below which contains all instructions
    7 KB (1,000 words) - 08:45, 14 November 2019
  • 5000000 end kpoints ---- Wannier90 Manual: WANNIER90 manual LWANNIER90 in the VASP Manual: LWANNIER90. 5_4_Si_bandstructure.tgz Overview > bandgap of Si using
    16 KB (2,157 words) - 14:17, 14 November 2019
  • # do not overwrite WAVECAR LCHARG = .FALSE. # do not overwrite CHGCAR LWANNIER90_RUN = .TRUE. # run wannier90 in library mode Use the corresponding wannier90
    13 KB (1,576 words) - 12:42, 9 July 2018
  • # do not overwrite WAVECAR LCHARG = .FALSE. # do not overwrite CHGCAR LWANNIER90_RUN = .TRUE. # run wannier90 in library mode Use the corresponding wannier90
    14 KB (1,737 words) - 08:47, 14 November 2019