./iterations/neb0_image01_iter295_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 0.363648354669E+03 0.36365E+03 -0.14335E+04 632 0.799E+02
DAV: 2 0.314682220883E+01 -0.36050E+03 -0.34820E+03 828 0.195E+02
DAV: 3 -0.956459046555E+02 -0.98793E+02 -0.98453E+02 661 0.116E+02
DAV: 4 -0.100264470765E+03 -0.46186E+01 -0.46060E+01 696 0.287E+01
DAV: 5 -0.100352994166E+03 -0.88523E-01 -0.88479E-01 728 0.361E+00 0.223E+01
DAV: 6 -0.917147825464E+02 0.86382E+01 -0.30866E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908926547089E+02 0.82213E+00 -0.18517E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.905114608507E+02 0.38119E+00 -0.55968E-01 696 0.432E+00 0.168E+00
DAV: 9 -0.904258793906E+02 0.85581E-01 -0.13633E-01 712 0.164E+00 0.428E-01
DAV: 10 -0.904204775892E+02 0.54018E-02 -0.45666E-02 701 0.125E+00 0.317E-01
DAV: 11 -0.904241942584E+02 -0.37167E-02 -0.65501E-03 608 0.483E-01 0.145E-01
DAV: 12 -0.904276958011E+02 -0.35015E-02 -0.73819E-03 628 0.497E-01 0.132E-01
DAV: 13 -0.904303820462E+02 -0.26862E-02 -0.16503E-03 885 0.323E-01 0.763E-02
DAV: 14 -0.904334555841E+02 -0.30735E-02 -0.12820E-03 639 0.166E-01 0.565E-02
DAV: 15 -0.904355804888E+02 -0.21249E-02 -0.36376E-04 680 0.107E-01 0.437E-02
DAV: 16 -0.904371537370E+02 -0.15732E-02 -0.75032E-04 650 0.160E-01 0.340E-02
DAV: 17 -0.904378752793E+02 -0.72154E-03 -0.14041E-04 736 0.866E-02 0.218E-02
DAV: 18 -0.904381052970E+02 -0.23002E-03 -0.86445E-05 664 0.451E-02 0.876E-03
DAV: 19 -0.904382611696E+02 -0.15587E-03 -0.27397E-05 503 0.263E-02 0.469E-03
DAV: 20 -0.904382892787E+02 -0.28109E-04 -0.35280E-06 488 0.121E-02 0.547E-03
DAV: 21 -0.904383239813E+02 -0.34703E-04 -0.53464E-06 423 0.131E-02 0.387E-03
DAV: 22 -0.904383349798E+02 -0.10998E-04 -0.31846E-06 480 0.114E-02 0.184E-03
DAV: 23 -0.904383366866E+02 -0.17068E-05 -0.18693E-06 536 0.804E-03
1 F= -.90438337E+02 E0= -.90443978E+02 d E =0.169240E-01