./iterations/neb0_image07_iter242_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 0.371900145657E+03 0.37190E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.386005182012E+01 -0.36804E+03 -0.35617E+03 866 0.194E+02
DAV: 3 -0.966609779642E+02 -0.10052E+03 -0.10017E+03 696 0.116E+02
DAV: 4 -0.101166899100E+03 -0.45059E+01 -0.44947E+01 688 0.280E+01
DAV: 5 -0.101255735017E+03 -0.88836E-01 -0.88782E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.925970790567E+02 0.86587E+01 -0.30787E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.917350299013E+02 0.86205E+00 -0.17436E+00 728 0.621E+00 0.480E+00
DAV: 8 -0.913593867131E+02 0.37564E+00 -0.54275E-01 728 0.398E+00 0.162E+00
DAV: 9 -0.912775167860E+02 0.81870E-01 -0.13025E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.912683931252E+02 0.91237E-02 -0.40152E-02 752 0.102E+00 0.289E-01
DAV: 11 -0.912729356005E+02 -0.45425E-02 -0.12608E-02 608 0.590E-01 0.153E-01
DAV: 12 -0.912757416213E+02 -0.28060E-02 -0.25000E-03 621 0.259E-01 0.872E-02
DAV: 13 -0.912796854559E+02 -0.39438E-02 -0.18319E-03 636 0.210E-01 0.552E-02
DAV: 14 -0.912821075824E+02 -0.24221E-02 -0.64002E-04 760 0.199E-01 0.381E-02
DAV: 15 -0.912844437369E+02 -0.23362E-02 -0.48205E-04 639 0.107E-01 0.366E-02
DAV: 16 -0.912852707011E+02 -0.82696E-03 -0.15359E-04 760 0.856E-02 0.132E-02
DAV: 17 -0.912861597457E+02 -0.88904E-03 -0.16827E-04 698 0.699E-02 0.180E-02
DAV: 18 -0.912863719739E+02 -0.21223E-03 -0.21338E-05 552 0.319E-02 0.105E-02
DAV: 19 -0.912865033573E+02 -0.13138E-03 -0.36242E-05 609 0.318E-02 0.404E-03
DAV: 20 -0.912865366272E+02 -0.33270E-04 -0.25649E-06 512 0.982E-03 0.299E-03
DAV: 21 -0.912865520445E+02 -0.15417E-04 -0.16128E-06 421 0.555E-03 0.203E-03
DAV: 22 -0.912865607172E+02 -0.86727E-05 -0.98576E-07 447 0.461E-03
1 F= -.91286561E+02 E0= -.91292493E+02 d E =0.177975E-01