"fatal internal in brackting system-shutdown; contact gK immediately"

[pang_qing]

76 F= -.18609333E+03 E0= -.18597787E+03 d E =-.939888E-04
curvature: 0.00 expect dE=-0.265E-08 dE for cont linesearch -0.372E-09
ZBRENT: can not reach accuracy
opt : 0.0000 next Energy= 0.000000 (dE= 0.186E+03)
bond charge predicted
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186093161277E+03 -0.18609E+03 -0.13971E-02 4064 0.512E-01 0.393E-02
DAV: 2 -0.186094895014E+03 -0.17337E-02 -0.10829E-02 4880 0.365E-01 0.454E-01
DAV: 3 -0.186093440195E+03 0.14548E-02 -0.13440E-02 3616 0.301E-01 0.755E-02
DAV: 4 -0.186093244577E+03 0.19562E-03 -0.97895E-04 2488 0.843E-02 0.381E-02
DAV: 5 -0.186093229177E+03 0.15400E-04 -0.10561E-04 2304 0.437E-02
77 F= -.18609323E+03 E0= -.18597772E+03 d E =0.106065E-04
curvature: 0.00 expect dE= 0.148-321 dE for cont linesearch 0.124-321
ZBRENT: fatal internal in brackting
system-shutdown; contact gK immediately
Wed Oct 22 18:11:50 CST 2008


Dear admin:

I'm a new learner of VASP. I want to know the most possible origin of the problem above "fatal internal in brackting system-shutdown; contact gK immediately", and how to solve it.

[camilo]

Hi Pang,

The following post might lend some insight into your problems:

http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?3.869