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Spin-Orbit calculation with born effective charge

Posted: Sun Dec 19, 2010 2:37 pm
by leostorm10
Dear all, I am doing Born effective charge calculation with Spin-Orbit calculation using vasp . I have done first SO calculation that is a non-collinear calculation and then produced CHGCAR and WAVECAR are read to calculate the Born effective charge using the tag IBRION = 8 and LEPSILON = .TRUE. But the I am not getting the output. It tells that
"found WAVECAR, reading the header
number of bands has changed, file: 1024 present: 64
trying to continue reading WAVECAR, but it might fail
number of k-points has changed, file: 64 present: 32
trying to continue reading WAVECAR, but it might fail
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...( 1 )
reading WAVECAR
ERROR: while reading WAVECAR, plane wave coefficients changed 2676 "
Can U tell me what should i do??

Re: Spin-Orbit calculation with born effective charge

Posted: Thu Sep 12, 2024 8:50 am
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.

Best wishes,

VASP