"hit a member that was already found in another star" ?

Message

lahaye · #1 Post by **lahaye** » Mon Jul 10, 2006 7:15 am

Hi,

I get this message a zillion times in my output:

hit a member that was already found in another star

It has something to do with symmetry.
Any idea what is wrong with my configuration or is this a bug?

My input files are here:
http://surfion.snu.ac.kr/~lahaye/vasp/hit

Rob.

Veronika · #2 Post by **Veronika** » Mon Jul 10, 2006 10:11 am

Probably you should modify your KPOINTS from 1 1 11 to 2 2 11 to avoid this problem - or, more easy, try "Gamma" in the third line of the KPOINTS file, this centers the Grid to the gamma point.

lahaye · #3 Post by **lahaye** » Tue Jul 11, 2006 5:06 am

Nope, doesn't seem to help.

I tried this:

Code: Select all

k-points
0
Monkhorst-Pack
2 2 11
0 0 0

and also this:

Code: Select all

k-points
0
Gamma
3 3 11
0 0 0

to no avail. I get this kind of output:

Code: Select all

 running on    2 nodes
 distr:  one band on    1 nodes,    2 groups
 vasp.4.6.28 25Jul05 complex 
 POSCAR found :  1 types and   32 ions
 scaLAPACK will be used
 WARNING: for PREC=h ENMAX is automatically increase by 25 %
        this was not the case for versions prior to vasp.4.4
 LDA part: xc-table for Pade appr. of Perdew
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...           3
 reading WAVECAR
 WARNING: random wavefunctions but no delay for mixing, default for NELMDL
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.898234426362E+03    0.89823E+03   -0.57336E+04  4780   0.130E+03
DAV:   2    -0.191774632102E+03   -0.10900E+04   -0.10448E+04  6418   0.310E+02
DAV:   3    -0.306131832828E+03   -0.11436E+03   -0.11320E+03  5576   0.104E+02
DAV:   4    -0.309354138180E+03   -0.32223E+01   -0.32065E+01  6088   0.200E+01
 hit a member that was already found in another star
<last line 253421 times>
DAV:   5    -0.309466130443E+03   -0.11199E+00   -0.11184E+00  6232   0.322E+00    0.223E+01
<etc.>

Anymore suggestions what I can do about this?

Thanks,
Rob.

Veronika · #4 Post by **Veronika** » Tue Jul 11, 2006 9:08 am

I don't know ... if VASP runs correctly for the rest of the calculation and the energies seem to be reasonable ...

#5 Post by **admin** » Tue Jul 11, 2006 9:44 am

I'll have a look at it. This error usually only occurs if the unit cell is completely distorted (angles close to 0 or 180 degrees). This is definitely not the case for your cell. A quick solution of the problem would be to switch off symmetrization (ISYM=0)