iterations/neb0_image07_iter207_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 0.370353728467E+03 0.37035E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.306263084248E+01 -0.36729E+03 -0.35514E+03 877 0.194E+02
DAV: 3 -0.965399441091E+02 -0.99603E+02 -0.99313E+02 688 0.116E+02
DAV: 4 -0.101039290232E+03 -0.44993E+01 -0.44868E+01 712 0.279E+01
DAV: 5 -0.101129320458E+03 -0.90030E-01 -0.89975E-01 720 0.355E+00 0.225E+01
DAV: 6 -0.925560925347E+02 0.85732E+01 -0.30733E+01 728 0.298E+01 0.118E+01
DAV: 7 -0.917147072216E+02 0.84139E+00 -0.17163E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913429403352E+02 0.37177E+00 -0.53715E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912617184349E+02 0.81222E-01 -0.12824E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912530916472E+02 0.86268E-02 -0.39336E-02 728 0.102E+00 0.283E-01
DAV: 11 -0.912574876837E+02 -0.43960E-02 -0.11007E-02 616 0.545E-01 0.142E-01
DAV: 12 -0.912603855267E+02 -0.28978E-02 -0.23587E-03 632 0.252E-01 0.904E-02
DAV: 13 -0.912642494255E+02 -0.38639E-02 -0.16107E-03 623 0.200E-01 0.528E-02
DAV: 14 -0.912670393396E+02 -0.27899E-02 -0.73553E-04 805 0.214E-01 0.421E-02
DAV: 15 -0.912688660734E+02 -0.18267E-02 -0.41382E-04 653 0.109E-01 0.346E-02
DAV: 16 -0.912698342711E+02 -0.96820E-03 -0.16478E-04 752 0.773E-02 0.153E-02
DAV: 17 -0.912706723132E+02 -0.83804E-03 -0.13764E-04 725 0.613E-02 0.155E-02
DAV: 18 -0.912708872328E+02 -0.21492E-03 -0.17143E-05 496 0.300E-02 0.911E-03
DAV: 19 -0.912710405213E+02 -0.15329E-03 -0.53814E-05 612 0.394E-02 0.859E-03
DAV: 20 -0.912710583101E+02 -0.17789E-04 -0.54205E-06 512 0.216E-02 0.404E-03
DAV: 21 -0.912710727023E+02 -0.14392E-04 -0.39604E-06 420 0.103E-02 0.178E-03
DAV: 22 -0.912710909526E+02 -0.18250E-04 -0.28184E-06 417 0.875E-03 0.854E-04
DAV: 23 -0.912710929341E+02 -0.19815E-05 -0.10532E-06 504 0.491E-03
1 F= -.91271093E+02 E0= -.91276008E+02 d E =0.147448E-01