Dear Sir,
I am trying to use LAECHG (combined withLADDGRID: running VASP 4.6.31 on IBM SP4) to get all electron charge density. The program stops as soon as it starts, giving the following error in the standard output attached below. Oddly, AECCAR1 is created but not the other two files. Thanks much for your help.
Regards,
EG Kim
##########################################################
running on 40 nodes
distr: one band on 8 nodes, 5 groups
vasp.4.6.31 08Feb07 complex
POSCAR found : 4 types and 140 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
WARNING: stress and forces are not correct
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
augmentation electrons 485.967551712686600
soft electrons 0.000000000000000000E+00
.
.
.
total electrons 485.967551712686600
total electrons 485.967551712686600
<span class='smallblacktext'>[ Edited ]</span>
LAECHG error
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kong4vasp
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LAECHG error
Last edited by kong4vasp on Mon Oct 15, 2007 2:23 pm, edited 1 time in total.