./iterations/neb0_image07_iter151_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 0.371557321705E+03 0.37156E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.353896816578E+01 -0.36802E+03 -0.35555E+03 869 0.194E+02
DAV: 3 -0.962190480681E+02 -0.99758E+02 -0.99437E+02 672 0.116E+02
DAV: 4 -0.100980707885E+03 -0.47617E+01 -0.47495E+01 704 0.289E+01
DAV: 5 -0.101079461956E+03 -0.98754E-01 -0.98685E-01 728 0.370E+00 0.226E+01
DAV: 6 -0.924978994601E+02 0.85816E+01 -0.30519E+01 712 0.299E+01 0.118E+01
DAV: 7 -0.916519172646E+02 0.84598E+00 -0.17243E+00 712 0.619E+00 0.478E+00
DAV: 8 -0.912834667562E+02 0.36845E+00 -0.52545E-01 720 0.395E+00 0.165E+00
DAV: 9 -0.912019965426E+02 0.81470E-01 -0.13034E-01 720 0.159E+00 0.423E-01
DAV: 10 -0.911934776887E+02 0.85189E-02 -0.36548E-02 770 0.102E+00 0.280E-01
DAV: 11 -0.911974134006E+02 -0.39357E-02 -0.92883E-03 608 0.516E-01 0.128E-01
DAV: 12 -0.912001431111E+02 -0.27297E-02 -0.20114E-03 635 0.263E-01 0.853E-02
DAV: 13 -0.912039853550E+02 -0.38422E-02 -0.14546E-03 639 0.186E-01 0.629E-02
DAV: 14 -0.912063384602E+02 -0.23531E-02 -0.45926E-04 840 0.168E-01 0.300E-02
DAV: 15 -0.912086124509E+02 -0.22740E-02 -0.31770E-04 636 0.888E-02 0.301E-02
DAV: 16 -0.912100200232E+02 -0.14076E-02 -0.16182E-04 717 0.704E-02 0.210E-02
DAV: 17 -0.912107828366E+02 -0.76281E-03 -0.15910E-04 672 0.645E-02 0.139E-02
DAV: 18 -0.912109845836E+02 -0.20175E-03 -0.21595E-05 496 0.278E-02 0.680E-03
DAV: 19 -0.912111204048E+02 -0.13582E-03 -0.32889E-05 551 0.256E-02 0.523E-03
DAV: 20 -0.912111284747E+02 -0.80699E-05 -0.18008E-06 520 0.103E-02
1 F= -.91211128E+02 E0= -.91217291E+02 d E =0.184870E-01