iterations/neb0_image05_iter92_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373817615244E+03 0.37382E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.303377345768E+01 -0.37078E+03 -0.35847E+03 893 0.195E+02
DAV: 3 -0.942316764314E+02 -0.97265E+02 -0.96926E+02 634 0.116E+02
DAV: 4 -0.987660324362E+02 -0.45344E+01 -0.45235E+01 701 0.295E+01
DAV: 5 -0.988642824878E+02 -0.98250E-01 -0.98202E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905272888591E+02 0.83370E+01 -0.28607E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896437125491E+02 0.88358E+00 -0.18026E+00 720 0.672E+00 0.468E+00
DAV: 8 -0.892518826101E+02 0.39183E+00 -0.62388E-01 712 0.451E+00 0.155E+00
DAV: 9 -0.891689826351E+02 0.82900E-01 -0.12340E-01 728 0.166E+00 0.447E-01
DAV: 10 -0.891565565075E+02 0.12426E-01 -0.51010E-02 720 0.123E+00 0.343E-01
DAV: 11 -0.891579067889E+02 -0.13503E-02 -0.10774E-02 629 0.597E-01 0.117E-01
DAV: 12 -0.891600691981E+02 -0.21624E-02 -0.35281E-03 688 0.314E-01 0.127E-01
DAV: 13 -0.891660698494E+02 -0.60007E-02 -0.26904E-03 759 0.369E-01 0.726E-02
DAV: 14 -0.891684116450E+02 -0.23418E-02 -0.79927E-04 696 0.141E-01 0.561E-02
DAV: 15 -0.891712751920E+02 -0.28635E-02 -0.85065E-04 626 0.171E-01 0.341E-02
DAV: 16 -0.891723720837E+02 -0.10969E-02 -0.12960E-04 696 0.624E-02 0.249E-02
DAV: 17 -0.891736351444E+02 -0.12631E-02 -0.21074E-04 614 0.693E-02 0.132E-02
DAV: 18 -0.891739577648E+02 -0.32262E-03 -0.45610E-05 696 0.329E-02 0.104E-02
DAV: 19 -0.891740790139E+02 -0.12125E-03 -0.12828E-05 448 0.247E-02 0.440E-03
DAV: 20 -0.891741938050E+02 -0.11479E-03 -0.32366E-05 508 0.297E-02 0.872E-03
DAV: 21 -0.891742132814E+02 -0.19476E-04 -0.43228E-06 488 0.167E-02 0.467E-03
DAV: 22 -0.891742208997E+02 -0.76183E-05 -0.83553E-06 440 0.164E-02
1 F= -.89174221E+02 E0= -.89178311E+02 d E =0.122699E-01