err with dimer calculation

[lanjh]

Hi,
I have carried out the dimer calculation. I found that during the total process, the obtained strcuture in the XDATCAR is alway the same one. Again, the DIMCAR file is empty. Why did this err occur?
The INCAR is as follows:
SYSTEM=Pt(111)_topa
ENCUT=420
ENAUG=700
ISTART=1;ICHARG=2
ISMEAR=2; SIGMA=0.2
ISYM=0
NSW=600
POTIM=0.0
IBRION=3
ICHAIN=2
ISYM=0
DdR=0.005
DRotMax=4
DFNMin=0.01
DFNMax=1.0
IPOT=2

EDIFF=1E-7
EDIFFG=-1E-3
PREC=Norm
LWAVE=.FALSE.
LCHARG=.FALSE.

The MODECAR is below,
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
-1.4662793845E-03 -1.5111200104E-02 6.2663588969E-05
-1.2603242714E-03 -8.4566141323E-03 3.2724688177E-03
7.8409620525E-03 -1.0737800800E-02 3.3104141994E-03
3.8507874648E-03 -1.3317651477E-02 4.7514099889E-03
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
2.0083522062E-02 -1.4117596144E-02 2.7167467295E-02
-6.3878547785E-03 -3.7290236594E-02 3.4051131609E-04
-1.0878058493E-03 -4.8337565856E-02 -5.6503388516E-03
5.0248711050E-03 -2.7421336489E-02 7.6689783878E-03
2.8917967399E-02 7.3008245660E-03 1.6578801080E-02
2.2538398908E-01 9.0147327814E-01 -3.3393321335E-01
-4.7662756075E-02 -4.0976251907E-02 6.9152102212E-02
-8.4538200525E-03 7.8565844781E-02 -4.6911357615E-02

I look forward to your reply, thank you

[graeme]

There is not enough information here to know what's happening.

Can you make a .tar.gz file of the run, and send it to me?
(henkelman at mail.utexas.edu)

[lanjh]

ok, thanks

[graeme]

It does not look like your vasp binary was built with our vtstcode. Instructions for doing this are at:

http://theory.cm.utexas.edu/vtsttools/downloads/

You should be able to grep for VTST in the OUTCAR and find a line similar to:

VTST: version 2.03b (08/01/07)

if the vtstcode has been properly linked in.