Error reading item 'ISTART' from file INCAR.
Posted: Wed Jul 18, 2007 9:33 pm
When I try to run VASP for a simple Si lattice, I get the error message:
vasp.4.6.28 25Jul05 complex
POSCAR found : 1 types and 2 ions
Error reading item 'ISTART' from file INCAR.
Error code was IERR=5 ... . Found N= 0 data.
The INCAR file I am using is as follows:
The ISTART parameter is first in the file. The file permissions are set so anyone can work with it (777). Any idea what is failing?
vasp.4.6.28 25Jul05 complex
POSCAR found : 1 types and 2 ions
Error reading item 'ISTART' from file INCAR.
Error code was IERR=5 ... . Found N= 0 data.
The INCAR file I am using is as follows:
Code: Select all
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      1 # Test: tutorial on Si atoms
      2
      3 ISTART = 0          # start from scratch
      4 ICHARG = 2          # 2 if ISTART = 0, else 0
      5 INIWAV = 1          # used when ISTART = 0
      6 NELM = 40           # max of 40 electronic steps
      7 NELMIN = 2          # minimum of 2 electronic steps
      8 NELMDL = -5         # if ISTART = 0, INIWAV = 1
      9 EDIFF = 0.1E-03     # stopping criterion for electronic updates
     10
     11 # recommended minimum setup from VASP 6.2.3
     12 PREC = Normal       # Normal precision
     13 LREAL = .FALSE.     # local coulomb interaction
     14 ENCUT = 300         # cutoff used throughout all calculations
     15 ISMEAR = 0          # 0: Gaussian, 1: Methfessel-Paxton, -5: tetrahed.
     16
     17 # from Denis
     18 ALGOL = fast        # fast algorithm
     19 ISPIN = 1           # spin polarized calculation
     20 LWAVE = .TRUE.      # write wavefunctions
     21 LCHARG = .TRUE.     # write charge densities
The ISTART parameter is first in the file. The file permissions are set so anyone can work with it (777). Any idea what is failing?