Dear All.
I want to do noncollinear cluster calculations. I have done the magnetic collinear calulation &got the ground state. Using these generated CHGCAR & WAVECAR I started the noncollinear calculations by setting LNONCOLLINEAR=.TRUE. in the INCAR file.
But my job has stopped giving an error
"LDA part: xc-table for Pade appr. of Perdew
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 6
reading WAVECAR
reading wavefunctions of collinear run, up
ERROR: while reading WAVECAR, plane wave coefficients changed 8393
8393"
It will be appreciated if anyone has any suggestion regarding this problem.
Thanking you in advance.
noncollinear calculation
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mssb2
noncollinear calculation
Last edited by mssb2 on Wed Apr 18, 2007 3:44 am, edited 1 time in total.