./iterations/neb0_image06_iter93_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 0.375113766558E+03 0.37511E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.358789604985E+01 -0.37153E+03 -0.35941E+03 877 0.195E+02
DAV: 3 -0.955926381285E+02 -0.99181E+02 -0.98856E+02 656 0.117E+02
DAV: 4 -0.100166576880E+03 -0.45739E+01 -0.45631E+01 696 0.289E+01
DAV: 5 -0.100260792236E+03 -0.94215E-01 -0.94173E-01 744 0.368E+00 0.226E+01
DAV: 6 -0.916460766416E+02 0.86147E+01 -0.30957E+01 714 0.307E+01 0.118E+01
DAV: 7 -0.908253469504E+02 0.82073E+00 -0.17292E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.904467351129E+02 0.37861E+00 -0.52050E-01 720 0.401E+00 0.168E+00
DAV: 9 -0.903541684212E+02 0.92567E-01 -0.13367E-01 720 0.163E+00 0.421E-01
DAV: 10 -0.903445468598E+02 0.96216E-02 -0.43342E-02 736 0.106E+00 0.303E-01
DAV: 11 -0.903492191813E+02 -0.46723E-02 -0.13089E-02 621 0.651E-01 0.168E-01
DAV: 12 -0.903509333782E+02 -0.17142E-02 -0.22215E-03 661 0.256E-01 0.121E-01
DAV: 13 -0.903557237260E+02 -0.47903E-02 -0.35104E-03 654 0.398E-01 0.709E-02
DAV: 14 -0.903572663044E+02 -0.15426E-02 -0.53467E-04 720 0.150E-01 0.540E-02
DAV: 15 -0.903600094223E+02 -0.27431E-02 -0.77298E-04 658 0.156E-01 0.392E-02
DAV: 16 -0.903615362661E+02 -0.15268E-02 -0.23282E-04 693 0.785E-02 0.310E-02
DAV: 17 -0.903621279990E+02 -0.59173E-03 -0.11743E-04 760 0.769E-02 0.140E-02
DAV: 18 -0.903627413479E+02 -0.61335E-03 -0.10195E-04 665 0.573E-02 0.997E-03
DAV: 19 -0.903629804917E+02 -0.23914E-03 -0.19263E-05 498 0.244E-02 0.857E-03
DAV: 20 -0.903630811470E+02 -0.10066E-03 -0.24491E-05 520 0.289E-02 0.684E-03
DAV: 21 -0.903631284787E+02 -0.47332E-04 -0.56173E-06 454 0.123E-02 0.575E-03
DAV: 22 -0.903631468922E+02 -0.18414E-04 -0.62371E-06 429 0.155E-02 0.273E-03
DAV: 23 -0.903631533631E+02 -0.64709E-05 -0.37093E-06 440 0.120E-02
1 F= -.90363153E+02 E0= -.90368856E+02 d E =0.171093E-01