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??
Spin-Orbit calculation with born effective charge
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leostorm10
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Spin-Orbit calculation with born effective charge
Last edited by leostorm10 on Sun Dec 19, 2010 2:37 pm, edited 1 time in total.
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support_vasp
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Re: Spin-Orbit calculation with born effective charge
Hi,
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