[Pw_forum] hello, I have a error message about Fermi surface by xcrysden ?

[r95222066 at ntu.edu.tw]

Dear all,
      I have a error message about Fermi surface by xcrysden

Here is my input file detail (PS:the file is little larger)

a.NaV2O4.scf

  &control
     calculation='scf'
     restart_mode='from_scratch',
     pseudo_dir = './',
     outdir='./',
     prefix='nav2o4'
  /
  &system
     ibrav = 8, celldm(1) =17.253962,celldm(2)=0.315912,celldm(3)=1.164067,
     nat=28 , ntyp= 3,
     ecutwfc = 40.0,
     starting_magnetization(1)=0.1,
     starting_magnetization(2)=1,
     starting_magnetization(3)=0.1,
     occupations='smearing', smearing='mp', degauss=0.02
  /
  &electrons
     conv_thr = 1.0e-4,
     mixing_beta = 0.05,
     electron_maxstep=80,
     diagonalization= 'cg'
  /
ATOMIC_SPECIES
  Na 22.9878  Na.pbe-sp-van_ak.UPF
   V 50.9415  V.pbe-n-van.UPF
   O 15.9994  O.pbe-rrkjus.UPF
ATOMIC_POSITIONS (crystal)
Na 0.24271000 0.25000000 0.34620000
Na 0.75729000 0.75000000 0.65380000
Na 0.74271000 0.25000000 0.15380000
Na 0.25729000 0.75000000 0.84620000
  V 0.08309000 0.25000000 0.60374000
  V 0.91691000 0.75000000 0.39626000
  V 0.58309000 0.25000000 0.89626000
  V 0.41691000 0.75000000 0.10374000
  V 0.06330000 0.25000000 0.11198000
  V 0.93670000 0.75000000 0.88802000
  V 0.56330000 0.25000000 0.38802000
  V 0.43670000 0.75000000 0.61198000
  O 0.29100000 0.25000000 0.64828000
  O 0.70900000 0.75000000 0.35172000
  O 0.79100000 0.25000000 0.85172000
  O 0.20900000 0.75000000 0.14828000
  O 0.38720000 0.25000000 0.97947000
  O 0.61280000 0.75000000 0.02053000
  O 0.88720000 0.25000000 0.52053000
  O 0.11280000 0.75000000 0.47947000
  O 0.38720000 0.25000000 0.21757000
  O 0.61280000 0.75000000 0.78243000
  O 0.88720000 0.25000000 0.28243000
  O 0.11280000 0.75000000 0.71757000
  O 0.07850000 0.25000000 0.92880000
  O 0.92150000 0.75000000 0.07120000
  O 0.57850000 0.25000000 0.57120000
  O 0.42150000 0.75000000 0.42880000
K_POINTS (automatic)
6 6 6    0 0 0


b.NaV2O4.fs.in
  &control
     calculation='nscf'
     pseudo_dir = './',
     outdir='./',
     prefix='nav2o4'
  /
  &system
     ibrav = 8, celldm(1) =17.253962,celldm(2)=0.315912,celldm(3)=1.164067,
     nat=28 , ntyp= 3,nbnd=103,
     ecutwfc = 40.0,
     starting_magnetization(1)=0.1,
     starting_magnetization(2)=1,
     starting_magnetization(3)=0.1,
  /
  &electrons
     conv_thr = 1.0e-4,
     mixing_beta = 0.05,

  /
ATOMIC_SPECIES
  Na 22.9878  Na.pbe-sp-van_ak.UPF
   V 50.9415  V.pbe-n-van.UPF
   O 15.9994  O.pbe-rrkjus.UPF
ATOMIC_POSITIONS (crystal)
Na 0.24271000 0.25000000 0.34620000
Na 0.75729000 0.75000000 0.65380000
Na 0.74271000 0.25000000 0.15380000
Na 0.25729000 0.75000000 0.84620000
  V 0.08309000 0.25000000 0.60374000
  V 0.91691000 0.75000000 0.39626000
  V 0.58309000 0.25000000 0.89626000
  V 0.41691000 0.75000000 0.10374000
  V 0.06330000 0.25000000 0.11198000
  V 0.93670000 0.75000000 0.88802000
  V 0.56330000 0.25000000 0.38802000
  V 0.43670000 0.75000000 0.61198000
  O 0.29100000 0.25000000 0.64828000
  O 0.70900000 0.75000000 0.35172000
  O 0.79100000 0.25000000 0.85172000
  O 0.20900000 0.75000000 0.14828000
  O 0.38720000 0.25000000 0.97947000
  O 0.61280000 0.75000000 0.02053000
  O 0.88720000 0.25000000 0.52053000
  O 0.11280000 0.75000000 0.47947000
  O 0.38720000 0.25000000 0.21757000
  O 0.61280000 0.75000000 0.78243000
  O 0.88720000 0.25000000 0.28243000
  O 0.11280000 0.75000000 0.71757000
  O 0.07850000 0.25000000 0.92880000
  O 0.92150000 0.75000000 0.07120000
  O 0.57850000 0.25000000 0.57120000
  O 0.42150000 0.75000000 0.42880000
K_POINTS
(produced from kvecs_FS.in by kvecs_FS.x )


c.kvecs_FS.in
   1.000000  0.000000  0.000000
   0.000000  3.165438  0.000000
   0.000000  0.000000  0.859057
   6 6 6
nav2o4

d.input_FS
85  88
    9.2434
nav2o4
FS
  6 6 6
   1.000000  0.000000  0.000000
   0.000000  3.165438  0.000000
   0.000000  0.000000  0.859057

----------------------------------------------------------------------
    I had a nav2o4.fs.bxsf file,and I check PWSCF example08 ni.fs.bxsf  
file which has the same format with my nav2o4.fs.bxsf file.

    When I want to show the bxsf file by xcrysden,there is the error message

Number of atoms :0
Number of frames :0
Error: Error reading Band_Grid_3D_section,while reading
Error: Error reading the BXSF file


Thanks a lot

                      Bing-Hong Chen,National Taiwan University,Taiwan