Dear friends,
I am doing a non-collinear calculations. Following the manual, i have calculated non-magnetic GS and then running a static calculation with the setup:
IBRION = -1
LNONCOLLINEAR= .TRUE.
MAGMOM = 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 #for a 13 atom system,initial magmom is arbitrary.
and this is giving error:
POSCAR found : 2 types and 13 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 6
reading WAVECAR
ERROR: while reading WAVECAR, plane wave coefficients changed 54978
13745
can you help me fixing the problem?
non-collinear calculation:beginners problem
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rudra-b
non-collinear calculation:beginners problem
Last edited by rudra-b on Fri Mar 07, 2008 4:46 am, edited 1 time in total.
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rudra-b
non-collinear calculation:beginners problem
plz ans this question...i am in trouble
Last edited by rudra-b on Tue Mar 11, 2008 3:14 am, edited 1 time in total.