Spin-Orbit calculation with born effective charge
Posted: Sun Dec 19, 2010 2:37 pm
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??
"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??