Dear pwscf users
while doing the BP calculation(after the scf calculation) for the
rhombohedral GeTe, I get the error.
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POLARIZATION CALCULATION
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from c_phase : error # 1
Wrong k-strings weights?
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stopping ...
the initial k-point grid for the scf calculation is:
K_POINTS {automatic}
4 4 4 1 1 1
whereas berry phase for the G-dir=1, the nppstr =7 and the k-point grid
was:
K_POINTS {automatic}
7 4 4 1 1 1
(being the low symmetry structure, I have to do G-dir seperately
and then sum the numbers).
It seems the error is from(bp_c_phase.f90)
IF (ABS(wk(kindex)-wk(kindex-1)-dk(1)) > eps) &
CALL errore('c_phase','Wrong k-strings weights?',1)
and eps is set to eps=1.0E-6_dp in this file
Pl.let me know whether I am doing something wrong?
regards
sahu