[xcrysden] Fermi Surface

[Yansun Yao]

Dear Tone,
    I'd like to plot the Fermi surface using PWscf results. But I got the error
message : " Error reading BANDGRID_3D_ section, while reading"
    I attach my .bxsf file for FCC Al. The words in brackets are my comments,
which were not appear in the actual file. Hope you can give some suggestions.
Thank you so much!

 BEGIN_INFO
   Fermi Energy:  8.4444              (Fermi Energy calculated by PWscf)
 END_INFO
 BEGIN_BLOCK_BANDGRID_3D
 band_energies
 BANDGRID_3D_BANDS
 1                                    ( I want to plot one band)
 8 8 8                                (8x8x8 MP k-mesh, used in PWscf as well)
  0.  0.  0.                          (Gamma)
 -1.000000 -1.000000  1.000000        (reciprocal primitive vector b1)
  1.000000  1.000000  1.000000        (b2)
 -1.000000  1.000000 -1.000000        (b3)
 BAND:    4                           (band index 4)
(The following numbers are the band energies of each point in 8x8x8 mesh, 29 in
total)
    23.326100   20.613400   19.848800   19.758400   20.281900   18.913800
    19.224500   18.044200   17.762300   18.893500   20.770300   22.655200
    16.373100   15.760600   15.892000   16.769800   18.396300   14.895600
    14.775400   15.398000   14.403700   17.668800   15.486700   14.347100
    12.786800   12.409400   13.520200   12.091200   10.006200
 END_BANDGRID_3D
 END_BLOCK_BANDGRID_3D
        Thank you!
                                    Yansun
                                   University of Saskatechwan