wavecar

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
User avatar
kanhere
Newbie
Newbie
Posts: 16
Joined: Wed Nov 29, 2006 9:46 am
License Nr.: 208, upgraded to paw

wavecar

#1 Post by kanhere » Wed Jan 31, 2007 6:56 pm

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?
Last edited by kanhere on Wed Jan 31, 2007 6:56 pm, edited 1 time in total.
Top
admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

wavecar

#2 Post by admin » Mon Feb 12, 2007 2:28 pm

probably the symmetry of the system has decreased and hence more
PW coefficients are needed
Last edited by admin on Mon Feb 12, 2007 2:28 pm, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”