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wavecar

Posted: Wed Jan 31, 2007 6:56 pm
by kanhere
i am calculating some magnetic properties. after getting the stable structure,i start other calculation changing ISTART,ICHARG,INIWAV , with 1 0 0, inserted MAGMOM,

but i am getting the error:

WARNING: for PREC=h ENMAX is automatically increase by 25 %
this was not the case for versions prior to vasp.4.4
WARNING: for PREC=h ENMAX is automatically increase by 25 %
this was not the case for versions prior to vasp.4.4
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 1
reading WAVECAR
ERROR: while reading WAVECAR, plane wave coefficients changed 19249
38497

anyone for help please?

wavecar

Posted: Mon Feb 12, 2007 2:28 pm
by admin
probably the symmetry of the system has decreased and hence more
PW coefficients are needed