File: postahc.fine.in

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file content (20 lines) | stat: -rw-r--r-- 292 bytes parent folder | download | duplicates (3)
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&input
  ahc_dir = 'ahc_dir_fine/'
  flvec = 'diam.modes_fine'
  nk = 2
  nbnd = 15
  ahc_nbnd = 8
  ahc_nbndskip = 0
  nat = 2
  nq = 64

  eta = 0.01
  efermi = 0.4766
  temp_kelvin = 300.0

  skip_upperfan = .true.
  skip_dw = .true.

  amass_amu(1) = 12.01078
  amass_amu(2) = 12.01078
/