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  • 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 (998 words) - 11:07, 10 August 2017
  • end kpoints ---- Wannier90 Manual: WANNIER90 manual LWANNIER90 in the VASP Manual: LWANNIER90. 5_4_Si_bandstructure.tgz Overview¬†> bandgap of Si using
    16 KB (2,159 words) - 11:09, 10 August 2017
  • NBANDS = 24 Run the hybrid functional calculation and call wannier90 (see LWANNIER90_RUN). . INCAR (see INCAR.hse_with_wannier90)ISMEAR = 0 SIGMA = 0.01
    7 KB (944 words) - 15:45, 26 March 2018
  • WAVECAR LCHARG = .FALSE. # do not overwrite CHGCAR LWANNIER90_RUN = .TRUE. # run wannier90 in library mode Use the corresponding
    12 KB (1,575 words) - 16:13, 9 July 2018
  • WAVECAR LCHARG = .FALSE. # do not overwrite CHGCAR LWANNIER90_RUN = .TRUE. # run wannier90 in library mode Use the corresponding
    13 KB (1,630 words) - 12:42, 9 July 2018