iterations/neb0_image07_iter295_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 0.373232360113E+03 0.37323E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.381914567753E+01 -0.36941E+03 -0.35847E+03 866 0.194E+02
DAV: 3 -0.965771390799E+02 -0.10040E+03 -0.10006E+03 664 0.117E+02
DAV: 4 -0.101265635324E+03 -0.46885E+01 -0.46763E+01 712 0.288E+01
DAV: 5 -0.101357741131E+03 -0.92106E-01 -0.92065E-01 728 0.363E+00 0.229E+01
DAV: 6 -0.926226160936E+02 0.87351E+01 -0.31076E+01 717 0.302E+01 0.120E+01
DAV: 7 -0.917380332476E+02 0.88458E+00 -0.17303E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913575953334E+02 0.38044E+00 -0.52660E-01 736 0.388E+00 0.164E+00
DAV: 9 -0.912708867206E+02 0.86709E-01 -0.13204E-01 728 0.153E+00 0.425E-01
DAV: 10 -0.912613581671E+02 0.95286E-02 -0.47261E-02 792 0.112E+00 0.305E-01
DAV: 11 -0.912664142464E+02 -0.50561E-02 -0.15056E-02 618 0.652E-01 0.161E-01
DAV: 12 -0.912688962247E+02 -0.24820E-02 -0.27730E-03 615 0.239E-01 0.117E-01
DAV: 13 -0.912732080620E+02 -0.43118E-02 -0.37135E-03 633 0.310E-01 0.674E-02
DAV: 14 -0.912758597579E+02 -0.26517E-02 -0.83790E-04 696 0.175E-01 0.264E-02
DAV: 15 -0.912782884498E+02 -0.24287E-02 -0.33925E-04 650 0.789E-02 0.226E-02
DAV: 16 -0.912793194614E+02 -0.10310E-02 -0.10332E-04 696 0.622E-02 0.145E-02
DAV: 17 -0.912798358940E+02 -0.51643E-03 -0.12638E-04 645 0.538E-02 0.148E-02
DAV: 18 -0.912799317209E+02 -0.95827E-04 -0.27519E-05 640 0.401E-02 0.288E-03
DAV: 19 -0.912800193361E+02 -0.87615E-04 -0.16772E-05 412 0.193E-02 0.391E-03
DAV: 20 -0.912800468778E+02 -0.27542E-04 -0.43957E-06 472 0.882E-03 0.394E-03
DAV: 21 -0.912800553225E+02 -0.84447E-05 -0.23247E-06 444 0.109E-02
1 F= -.91280055E+02 E0= -.91284867E+02 d E =0.144362E-01