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[<wshen02@gmail.com>]

Dear all, 
I am calculating the dielectric function for FCC Al with the following input
file
but an error occurs, the error information is like follows:

ioarr: reading density data
 ioarr: file name is Alo_DS1_DEN
At line 167 of file ioarr.F90
Fortran runtime error: No such file or directory


so I checked the Alo_DS1_DEN file, it is not in the folder.Instead four other
files are generated
Alo_DS1_TIM0_DEN
Alo_DS1_TIM1_DEN
Alo_DS1_TIM2_DEN
Alo_DS1_TIM3_DEN


SO anyone understand this and can give a explanation?

When I use the similar files for GaAs and Si, they both work fine.

I only made change under #Data common to all datasets.


Input file
  ndtset 6

#First dataset : SC run with kpoints in the IBZ
   iscf1  3
  nband1  10     
  nstep1 25   
 kptopt1 1
 prtden1 1   getden1 0   getwfk1 0    ! Usual file handling data

#Second dataset : NSC run with large number of bands, and points in the IBZ
    iscf2 -2  
   nband2 20  
   nstep2 25
  kptopt2  1
  getwfk2  1   getden2 1   ! Usual file handling data

#Third dataset : NSC run with large number of bands, and points in the the 
full
BZ
    iscf3 -2  
   nband3 20  
   nstep3 25
  kptopt3  3
  getwfk3  2   getden3 1   ! Usual file handling data





#Fourth dataset : ddk response function along axis 1
   iscf4 -3
  nband4 20   
  nstep4  1  nline4  6
 kptopt4  3


   nqpt4  1  qpt4  0.0d0 0.0d0 0.0d0 
  rfdir4  1 0 0
 rfelfd4  2
 getwfk4  3

#Fifth dataset : ddk response function along axis 2
   iscf5 -3
  nband5 20   
  nstep5  1  nline5  6
 kptopt5  3

   nqpt5  1  qpt5  0.0d0 0.0d0 0.0d0
  rfdir5  0 1 0
 rfelfd5  2
 getwfk5  3

 
 Sixth dataset : ddk response function along axis 3
   iscf6 -3
  nband6 20   
  nstep6  1  nline6  6
 kptopt6  3

   nqpt6  1  qpt6  0.0d0 0.0d0 0.0d0
  rfdir6  0 0 1
 rfelfd6  2
 getwfk6  3

#Data common to all datasets
#Definition of occupation numbers
occopt 4
tsmear 0.05

#Definition of the unit cell
acell 3*7.60           # This is equivalent to   7.60 7.60 7.60
rprim  0.0  0.5  0.5   # FCC primitive vectors (to be scaled by acell)
       0.5  0.0  0.5 
       0.5  0.5  0.0
diemac 20000
#Optimization of the lattice parameters
optcell 1
ionmov  3
ntime  10
dilatmx 1.05
ecutsm  0.5

#Definition of the atom types
ntypat 1          # There is only one type of atom
znucl 13          # The keyword "znucl" refers to the atomic number of the 
                  # possible type(s) of atom. The pseudopotential(s) 
                  # mentioned in the "files" file must correspond
                  # to the type(s) of atom. Here, the only type is Aluminum
                         

#Definition of the atoms
natom 1           # There is only one atom per cell
typat 1           # This atom is of type 1, that is, Aluminum
xred              # This keyword indicate that the location of the atoms
                  # will follow, one triplet of number for each atom
   0.0  0.0  0.0     # Triplet giving the REDUCED coordinate of atom 1.

#Definition of the planewave basis set
ecut  6.0         # Maximal kinetic energy cut-off, in Hartree

#Exchange-correlation functional
ixc 1             # LDA Teter Pade parametrization

#Definition of the k-point grid
kptopt 1          # Option for the automatic generation of k points, taking
                  # into account the symmetry
ngkpt 4 4 4       # This is a 2x2x2 FCC grid, based on the primitive vectors
nshiftk 4         # of the reciprocal space. For a FCC real space lattice,
                  # like the present one, it actually corresponds to the
                  # so-called 4x4x4 Monkhorst-Pack grid, if the following
shifts
                  # are used :
shiftk 0.5 0.5 0.5
       0.5 0.0 0.0
       0.0 0.5 0.0