My Community

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?

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