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noncollinear calculation

Posted: Wed Apr 18, 2007 3:44 am
by mssb2
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.


Re: noncollinear calculation

Posted: Wed Sep 11, 2024 1:32 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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