Problems reading explicit k-points
Posted: Fri Dec 23, 2022 12:17 am
Dear VASP community,
I am trying to run calculations with explicit k-points, but I am getting an error reading the file, the warning says "Error reading KPOINTS file. The error occurred at line: 41." and my KPOINTS file has 40 lines. There is no other explanation given.
I was succeeded in similar calculation with same INCAR and do not understand it.
Theseare the tags in my INCAR (which did work in other case):
SYSTEM = "PBE"; PREC = accurate
ISTART = 0; ICHARG = 11
NELM = 60; LREAL = T
NSW = 0; IBRION = -1
POTIM = 0.5000; IALGO = 48
LDIAG = T
Below is my KPOINTS file:
Thank you very much for your attention.
Best regards,
Armando
KPOINTS file:
Explicit k-points list
38
Reciprocal lattice
0.12500000000000 0.12500000000000 0.12500000000000 2
0.37500000000000 0.12500000000000 0.12500000000000 2
-0.37500000000000 0.12500000000000 0.12500000000000 2
-0.12500000000000 0.12500000000000 0.12500000000000 2
0.12500000000000 0.37500000000000 0.12500000000000 2
0.37500000000000 0.37500000000000 0.12500000000000 2
-0.37500000000000 0.37500000000000 0.12500000000000 2
-0.12500000000000 0.37500000000000 0.12500000000000 2
0.12500000000000 -0.37500000000000 0.12500000000000 2
0.37500000000000 -0.37500000000000 0.12500000000000 2
-0.37500000000000 -0.37500000000000 0.12500000000000 2
-0.12500000000000 -0.37500000000000 0.12500000000000 2
0.12500000000000 -0.12500000000000 0.12500000000000 2
0.37500000000000 -0.12500000000000 0.12500000000000 2
-0.37500000000000 -0.12500000000000 0.12500000000000 2
-0.12500000000000 -0.12500000000000 0.12500000000000 2
0.12500000000000 0.12500000000000 0.37500000000000 2
0.37500000000000 0.12500000000000 0.37500000000000 2
-0.37500000000000 0.12500000000000 0.37500000000000 2
-0.12500000000000 0.12500000000000 0.37500000000000 2
0.12500000000000 0.37500000000000 0.37500000000000 2
0.37500000000000 0.37500000000000 0.37500000000000 2
-0.37500000000000 0.37500000000000 0.37500000000000 2
-0.12500000000000 0.37500000000000 0.37500000000000 2
0.12500000000000 -0.37500000000000 0.37500000000000 2
0.37500000000000 -0.37500000000000 0.37500000000000 2
-0.37500000000000 -0.37500000000000 0.37500000000000 2
-0.12500000000000 -0.37500000000000 0.37500000000000 2
0.12500000000000 -0.12500000000000 0.37500000000000 2
0.37500000000000 -0.12500000000000 0.37500000000000 2
-0.37500000000000 -0.12500000000000 0.37500000000000 2
-0.12500000000000 -0.12500000000000 0.37500000000000 2
0.00000000 0.00000000 0.00000000 0
0.12500000 0.00000000 0.12500000 0
0.25000000 0.00000000 0.25000000 0
0.37500000 0.00000000 0.37500000 0
0.50000000 0.00000000 0.50000000 0
I am trying to run calculations with explicit k-points, but I am getting an error reading the file, the warning says "Error reading KPOINTS file. The error occurred at line: 41." and my KPOINTS file has 40 lines. There is no other explanation given.
I was succeeded in similar calculation with same INCAR and do not understand it.
Theseare the tags in my INCAR (which did work in other case):
SYSTEM = "PBE"; PREC = accurate
ISTART = 0; ICHARG = 11
NELM = 60; LREAL = T
NSW = 0; IBRION = -1
POTIM = 0.5000; IALGO = 48
LDIAG = T
Below is my KPOINTS file:
Thank you very much for your attention.
Best regards,
Armando
KPOINTS file:
Explicit k-points list
38
Reciprocal lattice
0.12500000000000 0.12500000000000 0.12500000000000 2
0.37500000000000 0.12500000000000 0.12500000000000 2
-0.37500000000000 0.12500000000000 0.12500000000000 2
-0.12500000000000 0.12500000000000 0.12500000000000 2
0.12500000000000 0.37500000000000 0.12500000000000 2
0.37500000000000 0.37500000000000 0.12500000000000 2
-0.37500000000000 0.37500000000000 0.12500000000000 2
-0.12500000000000 0.37500000000000 0.12500000000000 2
0.12500000000000 -0.37500000000000 0.12500000000000 2
0.37500000000000 -0.37500000000000 0.12500000000000 2
-0.37500000000000 -0.37500000000000 0.12500000000000 2
-0.12500000000000 -0.37500000000000 0.12500000000000 2
0.12500000000000 -0.12500000000000 0.12500000000000 2
0.37500000000000 -0.12500000000000 0.12500000000000 2
-0.37500000000000 -0.12500000000000 0.12500000000000 2
-0.12500000000000 -0.12500000000000 0.12500000000000 2
0.12500000000000 0.12500000000000 0.37500000000000 2
0.37500000000000 0.12500000000000 0.37500000000000 2
-0.37500000000000 0.12500000000000 0.37500000000000 2
-0.12500000000000 0.12500000000000 0.37500000000000 2
0.12500000000000 0.37500000000000 0.37500000000000 2
0.37500000000000 0.37500000000000 0.37500000000000 2
-0.37500000000000 0.37500000000000 0.37500000000000 2
-0.12500000000000 0.37500000000000 0.37500000000000 2
0.12500000000000 -0.37500000000000 0.37500000000000 2
0.37500000000000 -0.37500000000000 0.37500000000000 2
-0.37500000000000 -0.37500000000000 0.37500000000000 2
-0.12500000000000 -0.37500000000000 0.37500000000000 2
0.12500000000000 -0.12500000000000 0.37500000000000 2
0.37500000000000 -0.12500000000000 0.37500000000000 2
-0.37500000000000 -0.12500000000000 0.37500000000000 2
-0.12500000000000 -0.12500000000000 0.37500000000000 2
0.00000000 0.00000000 0.00000000 0
0.12500000 0.00000000 0.12500000 0
0.25000000 0.00000000 0.25000000 0
0.37500000 0.00000000 0.37500000 0
0.50000000 0.00000000 0.50000000 0