./iterations/neb0_image08_iter177_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 0.373899485342E+03 0.37390E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.355991465441E+01 -0.37034E+03 -0.35818E+03 863 0.196E+02
DAV: 3 -0.967496259546E+02 -0.10031E+03 -0.10000E+03 677 0.117E+02
DAV: 4 -0.101254951820E+03 -0.45053E+01 -0.44926E+01 712 0.283E+01
DAV: 5 -0.101343366929E+03 -0.88415E-01 -0.88358E-01 712 0.358E+00 0.227E+01
DAV: 6 -0.926621440423E+02 0.86812E+01 -0.30943E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917884396584E+02 0.87370E+00 -0.17266E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914121377757E+02 0.37630E+00 -0.54751E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913323788616E+02 0.79759E-01 -0.12995E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913243101005E+02 0.80688E-02 -0.43956E-02 760 0.109E+00 0.299E-01
DAV: 11 -0.913289812679E+02 -0.46712E-02 -0.12563E-02 608 0.585E-01 0.139E-01
DAV: 12 -0.913319853629E+02 -0.30041E-02 -0.28048E-03 633 0.254E-01 0.100E-01
DAV: 13 -0.913353342402E+02 -0.33489E-02 -0.12885E-03 634 0.185E-01 0.452E-02
DAV: 14 -0.913387380642E+02 -0.34038E-02 -0.84994E-04 741 0.193E-01 0.396E-02
DAV: 15 -0.913397239023E+02 -0.98584E-03 -0.22746E-04 688 0.103E-01 0.347E-02
DAV: 16 -0.913409046362E+02 -0.11807E-02 -0.25726E-04 661 0.858E-02 0.117E-02
DAV: 17 -0.913416370287E+02 -0.73239E-03 -0.68006E-05 664 0.370E-02 0.135E-02
DAV: 18 -0.913419199485E+02 -0.28292E-03 -0.42233E-05 592 0.349E-02 0.741E-03
DAV: 19 -0.913419948104E+02 -0.74862E-04 -0.14558E-05 480 0.207E-02 0.581E-03
DAV: 20 -0.913420237857E+02 -0.28975E-04 -0.54034E-06 436 0.118E-02 0.427E-03
DAV: 21 -0.913420335558E+02 -0.97702E-05 -0.22200E-06 488 0.108E-02
1 F= -.91342034E+02 E0= -.91347164E+02 d E =0.153921E-01