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[liuyudong97@mails.tsinghua.edu.cn]

Dear Abintors:
I am calculating Al2O3.
Cut3d CAN NOT analyze the potential files from the following input file, 
it said "  This file is a Density or Potential file, Error: bad ispden value
"
But cut3d CAN read and analyze the density files from the same input file.

my questions:
1) how can I analyze the potential file which is critical for my calculation?
2)my input variables are incompatible or a Bug for cut3d?
3) by the way, What is the defination of ispden?

thanks very much in advance

My calculation condition is :
Abinit v. 4.3.2, machine is Compaq True64 Unix v5.1B. Time is 1.6 hours.

my input file is as:
#  result includes: total energy, DOS, charge density, Fermi surface,
prtpot 1

prtfsurf 1  
prtden 1
prtdos 2

charge -1     # charge +1( or 0, +2, -1 ) for charge state

# unit cell
acell 3*13.248071576
angdeg 3*85.69307293
natom 41  # nsupercell 81 atom 000
# Atom type
ntypat 2
znucl 13 8
typat
1 2 2 2 1 2 2 2 1 1
1 2 2 2 1 2 2 2 1 1
1 2 2 2 1 2 2 2 1 1
1 2 2 2 1 2 2 2 1 1
1

      xred    3.5500000000E-01  3.5500000000E-01  3.5500000000E-01
              5.9850000000E-01  4.0150000000E-01  7.5000000000E-01
              7.5000000000E-01  5.9850000000E-01  4.0150000000E-01
              4.0150000000E-01  7.5000000000E-01  5.9850000000E-01
              8.3437425704E-01  8.3437425704E-01  8.3437425704E-01
              4.0150000000E-01  5.9850000000E-01  2.5000000000E-01
              2.5000000000E-01  4.0150000000E-01  5.9850000000E-01
              5.9850000000E-01  2.5000000000E-01  4.0150000000E-01
              6.4500000000E-01  6.4500000000E-01  6.4500000000E-01
              1.6562574296E-01  1.6562574296E-01  1.6562574296E-01
              3.5500000000E-01  8.5500000000E-01  8.5500000000E-01
              5.9850000000E-01  9.0150000000E-01  2.5000000000E-01
              7.1749933313E-01  1.2843933550E-01  9.0045149586E-01
              4.0150000000E-01  2.5000000000E-01  9.8500000000E-02
              8.5500000000E-01  3.5500000000E-01  3.5500000000E-01
              4.0150000000E-01  9.8500000000E-02  7.5000000000E-01
              2.8250066687E-01  8.7156066450E-01  9.9548504144E-02
              5.9850000000E-01  7.5000000000E-01  9.0150000000E-01
              6.4500000000E-01  1.4500000000E-01  1.4500000000E-01
              1.4500000000E-01  6.4500000000E-01  6.4500000000E-01
              8.5500000000E-01  3.5500000000E-01  8.5500000000E-01
              9.8500000000E-02  4.0150000000E-01  2.5000000000E-01
              2.5000000000E-01  5.9850000000E-01  9.0150000000E-01
              9.0045149586E-01  7.1749933313E-01  1.2843933550E-01
              3.5500000000E-01  8.5500000000E-01  3.5500000000E-01
              9.0150000000E-01  5.9850000000E-01  7.5000000000E-01
              7.5000000000E-01  4.0150000000E-01  9.8500000000E-02
              9.9548504144E-02  2.8250066687E-01  8.7156066450E-01
              1.4500000000E-01  6.4500000000E-01  1.4500000000E-01
              6.4500000000E-01  1.4500000000E-01  6.4500000000E-01
              8.5500000000E-01  8.5500000000E-01  3.5500000000E-01
              1.2843933550E-01  9.0045149586E-01  7.1749933313E-01
              2.5000000000E-01  9.8500000000E-02  4.0150000000E-01
              9.0150000000E-01  2.5000000000E-01  5.9850000000E-01
              3.5500000000E-01  3.5500000000E-01  8.5500000000E-01
              8.7156066450E-01  9.9548504144E-02  2.8250066687E-01
              7.5000000000E-01  9.0150000000E-01  5.9850000000E-01
              9.8500000000E-02  7.5000000000E-01  4.0150000000E-01
              1.4500000000E-01  1.4500000000E-01  6.4500000000E-01
              6.4500000000E-01  6.4500000000E-01  1.4500000000E-01
              0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
# relaxing all atoms except for NO.41 atom
ionmov 3
tolmxf 5.0d-4
toldff 5.0d-5
ntime 20 

# setting the atoms as the fixed ones or the relaxed ones
natfix 33

    iatfix      1    2    3    4    6    7    8    9   11   12
               14   15   16   18   19   20   21   22   23   25
               26   27   29   30   31   33   34   35   37   38
               39   40   41

#Definition of the planewave basis set
ecut 45 

#Definition of the SCF procedure
nstep 60          # Maximal number of SCF cycles

#Definition of the k-point grid
kptopt 1          # Option for the automatic generation of k points, taking

ngkpt  2 2 2       # This is a 2x2x2 FCC grid, based on the primitive vectors
shiftk 0 0 0