./iterations/neb0_image03_iter279_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 0.363613201749E+03 0.36361E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.178259918386E+01 -0.36183E+03 -0.34906E+03 845 0.195E+02
DAV: 3 -0.960535970194E+02 -0.97836E+02 -0.97527E+02 677 0.116E+02
DAV: 4 -0.100337491263E+03 -0.42839E+01 -0.42736E+01 704 0.275E+01
DAV: 5 -0.100420354338E+03 -0.82863E-01 -0.82840E-01 736 0.344E+00 0.223E+01
DAV: 6 -0.917170730735E+02 0.87033E+01 -0.31408E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908747701432E+02 0.84230E+00 -0.18012E+00 712 0.632E+00 0.485E+00
DAV: 8 -0.904837697789E+02 0.39100E+00 -0.55719E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.903936535513E+02 0.90116E-01 -0.13455E-01 712 0.169E+00 0.437E-01
DAV: 10 -0.903876908919E+02 0.59627E-02 -0.47257E-02 720 0.121E+00 0.334E-01
DAV: 11 -0.903916450292E+02 -0.39541E-02 -0.70911E-03 632 0.619E-01 0.120E-01
DAV: 12 -0.903950885482E+02 -0.34435E-02 -0.58174E-03 616 0.359E-01 0.122E-01
DAV: 13 -0.903991656893E+02 -0.40771E-02 -0.15041E-03 831 0.281E-01 0.838E-02
DAV: 14 -0.904024185697E+02 -0.32529E-02 -0.11816E-03 647 0.153E-01 0.560E-02
DAV: 15 -0.904045555199E+02 -0.21370E-02 -0.30926E-04 664 0.928E-02 0.285E-02
DAV: 16 -0.904060191268E+02 -0.14636E-02 -0.38085E-04 663 0.105E-01 0.271E-02
DAV: 17 -0.904065854086E+02 -0.56628E-03 -0.95777E-05 677 0.649E-02 0.125E-02
DAV: 18 -0.904069027523E+02 -0.31734E-03 -0.86551E-05 669 0.474E-02 0.132E-02
DAV: 19 -0.904069819196E+02 -0.79167E-04 -0.85923E-06 472 0.240E-02 0.713E-03
DAV: 20 -0.904070517761E+02 -0.69856E-04 -0.34358E-05 602 0.326E-02 0.700E-03
DAV: 21 -0.904070834303E+02 -0.31654E-04 -0.62790E-06 450 0.212E-02 0.205E-03
DAV: 22 -0.904070940426E+02 -0.10612E-04 -0.61497E-06 488 0.128E-02 0.288E-03
DAV: 23 -0.904070983736E+02 -0.43310E-05 -0.79628E-07 424 0.589E-03
1 F= -.90407098E+02 E0= -.90415181E+02 d E =0.242485E-01