some error information given by NEB running

[jzhao]

I perform a NEB calculation, but after only one ionic step the calculation is finishced, and it gives the following error information:

NEBV Params: ispring,spring,spring2,spower,efirst,elast
NEBV Params: 3 5.00000000000000 5.00000000000000
1.00000000000000 0.00000000000000D+000 0.00000000000000D+000
NEB: DOING NEB!
NEBD: energy_flag_prev,next: F F
NEBD: Both higher or lower
NEBD: min, max energy: ??????????????????????? ???????????????????????
NEBD: Next gt Prev
NEBD: old_dot, prev_dot, next_dot: ???????????????????????
??????????????????????? ???????????????????????
Tangent
----------------------------------------------
???????????????????????????????????????
???????????????????????????????????????
???????????????????????????????????????
???????????????????????????????????????
???????????????????????????????????????
???????????????????????????????????????
???????????????????????????????????????
....
....
....
???????????????????????????????????????
???????????????????????????????????????
NEB: Forces: par spring, perp spring, perp real ???????????? 0.000000????????????
NEB: distance to prev, next image, angle between 0.596465 0.596465????????????
NEB: spring constants (prev,next) 5.000000 5.000000
NEB: projections on to tangent (spring, real) 0.000000????????????
NEB: Forces: max atom, RMS 0.000000????????????
FORCES: max atom, RMS 0.000000????????????

Who could tell me what is wrong?
Thanks a lot.

[jzhao]

I use the parameters in INCAR
GGA=91
IBRION=3
POTIM=0.0
ISYM=0
ISMEAR=0;SIGMA=.1
NSW=200
NPAR=16
EDIFF = 0.1E-03
EDIFFG = -0.1E-01
PREC=med
LREAL=FALSE
LWAVE=.FALSE.


#neb parameters
ICHAIN = 0
IMAGES = 3
SPRING = -5.0
LCLIMB = .F.
LTANGENTOLD = .F.
LDNEB = .F.

Whether the reason is that the precision is too large, so after only one inoic step the programm crashes?

EDIFF = 0.1E-03
EDIFFG = -0.1E-01

[ojwang]

Just wondering
Where are the energies of your end points?

[jzhao]

Sorry, I dno't understand your means surely.

Do you mean the problem is related to the energy of the endpoint, or the energy of the endpoint should be provied in these information?

[graeme]

It looks like something is seriously wrong. If you send a .tar.gz of your run, we might be able to see what's wrong with it.

The best way to send files is to post a link. You could also submit to theory.cm.utexas.edu by anonymous ftp. (There are instructions there for submitting assignments, but it could be used for this purpose as well).