Dear Vasp users and administrators.
I'm now tring to calculate the magnetic anisotropies energy of
rather complex magnetic system (with 64 atom and bad symmetry
with impurity)
I had cauculated first SCF run without SO and then cauculate
2nd Non-SCF run with SO
LSORBIT=.TRUE.
ICHARG=11
SAXIS = 0 0 1
NBANDS=2 * number of bands of collinear run
but the calculation stopped with the message
LAPACK: Routine ZPOTRF failed.
it come from the subroutine from choleski2.f90
and how should we treat such an error?
LAPACK: Routine ZPOTRF failed!
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okuno
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LAPACK: Routine ZPOTRF failed!
Last edited by okuno on Mon Oct 27, 2008 2:23 pm, edited 1 time in total.
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support_vasp
- Global Moderator
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Re: LAPACK: Routine ZPOTRF failed!
Hi,
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