WARNING: CNORMN: search vector ill defined
Posted: Tue Apr 21, 2009 5:52 pm
I am trying to run VASP, but I keep getting the following error in the log file:
WARNING: CNORMN: search vector ill defined
In this particular calculation, I am trying to calculate the energy of a nitrogen atom.
Here is the beginning of the log file:
input = POSCAR POTCAR INCAR KPOINTS
output = CONTCAR OUTCAR OSZICAR
-- begin MPICH run --
running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.4.6.34 5Dec07 complex
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
RMM: 1 0.607900412385E+02 0.60790E+02 -0.10391E+02 14 0.126E+02
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
.
.
.
The calculation will run for days (although it should be ~30 min for a N atom) and I get the following nonsensical energy values from the OUTCAR:
free energy TOTEN = -5354.668023 eV
free energy TOTEN = -3061.579179 eV
free energy TOTEN = -3970.967903 eV
free energy TOTEN = -702.337185 eV
free energy TOTEN = -4490.181609 eV
free energy TOTEN = -436.027469 eV
free energy TOTEN = -1316.956511 eV
free energy TOTEN = -608.005242 eV
free energy TOTEN = -4038.633856 eV
free energy TOTEN = -8517.389795 eV
free energy TOTEN = -14690.604417 eV
free energy TOTEN = -803168.953680 eV
free energy TOTEN = -7318.285125 eV
free energy TOTEN = -12491.585937 eV
free energy TOTEN = -37768.538429 eV
free energy TOTEN = -427.668590 eV
Does anyone have any idea why this is happening?
Thanks!
WARNING: CNORMN: search vector ill defined
In this particular calculation, I am trying to calculate the energy of a nitrogen atom.
Here is the beginning of the log file:
input = POSCAR POTCAR INCAR KPOINTS
output = CONTCAR OUTCAR OSZICAR
-- begin MPICH run --
running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.4.6.34 5Dec07 complex
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
RMM: 1 0.607900412385E+02 0.60790E+02 -0.10391E+02 14 0.126E+02
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
WARNING: CNORMN: search vector ill defined
.
.
.
The calculation will run for days (although it should be ~30 min for a N atom) and I get the following nonsensical energy values from the OUTCAR:
free energy TOTEN = -5354.668023 eV
free energy TOTEN = -3061.579179 eV
free energy TOTEN = -3970.967903 eV
free energy TOTEN = -702.337185 eV
free energy TOTEN = -4490.181609 eV
free energy TOTEN = -436.027469 eV
free energy TOTEN = -1316.956511 eV
free energy TOTEN = -608.005242 eV
free energy TOTEN = -4038.633856 eV
free energy TOTEN = -8517.389795 eV
free energy TOTEN = -14690.604417 eV
free energy TOTEN = -803168.953680 eV
free energy TOTEN = -7318.285125 eV
free energy TOTEN = -12491.585937 eV
free energy TOTEN = -37768.538429 eV
free energy TOTEN = -427.668590 eV
Does anyone have any idea why this is happening?
Thanks!