Dear VASP user's
I 've got error when I try to do self-consistent calculation to generate ELFCAR file.
running on 10 nodes
distr: one band on 1 nodes, 10 groups
+++ VASP 4.6.28 - 25/07/2005 - Build 25/01/2006 - complex +++
POSCAR found : 4 types and 15 ions
scaLAPACK will be used
LDA part: xc-table for Ceperly-Alder, standard interpolation
PGFIO-F-209/OPEN/unit=14/'OLD' specified for file which does not exist.
File name = KPOINTS
In source file mkpoints.f, at line number 94
PGFIO-F-209/OPEN/unit=14/'OLD' specified for file which does not exist.
File name = KPOINTS
In source file mkpoints.f, at line number 94
PGFIO-F-209/OPEN/unit=14/'OLD' specified for file which does not exist.
File name = KPOINTS
In source file mkpoints.f, at line number 94
PGFIO-F-209/OPEN/unit=14/'OLD' specified for file which does not exist.
File name = KPOINTS
In source file mkpoints.f, at line number 94
PGFIO-F-209/OPEN/unit=14/'OLD' specified for file which does not exist.
These are my INCAR and KPOINTS files:
ISTART = 2
PREC = High
ENMAX = 420.00
IBRION = -1
ISMEAR = 1
EDIFF = 0.00001
SIGMA = 0.01
IALGO = 48 algorithm
MAXMIX = 40
LREAL = A
LELF = .TRUE.
LSCALAPACK = .FALSE.
Automatic mesh
0
Gamma
1 1 7
0. 0. 0.
Can somebody give suggestions bout this error?
Thank in advance
Yaroslav
Problem to calculate ELFCAR!
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Problem to calculate ELFCAR!
Last edited by slavik on Thu Apr 12, 2007 8:37 pm, edited 1 time in total.
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Problem to calculate ELFCAR!
Please check if your your KPOINTS file is in the directory where it is read by vasp.
Last edited by admin on Mon Apr 16, 2007 11:28 am, edited 1 time in total.