iterations/neb0_image06_iter100_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 0.375246546814E+03 0.37525E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.363810642692E+01 -0.37161E+03 -0.35952E+03 877 0.195E+02
DAV: 3 -0.955109795262E+02 -0.99149E+02 -0.98822E+02 648 0.117E+02
DAV: 4 -0.100205088575E+03 -0.46941E+01 -0.46828E+01 704 0.293E+01
DAV: 5 -0.100301689970E+03 -0.96601E-01 -0.96560E-01 744 0.375E+00 0.226E+01
DAV: 6 -0.916961750086E+02 0.86055E+01 -0.30878E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.908697301067E+02 0.82644E+00 -0.17118E+00 720 0.627E+00 0.481E+00
DAV: 8 -0.904891119759E+02 0.38062E+00 -0.52981E-01 720 0.405E+00 0.166E+00
DAV: 9 -0.903984053685E+02 0.90707E-01 -0.13111E-01 720 0.162E+00 0.421E-01
DAV: 10 -0.903884904534E+02 0.99149E-02 -0.45634E-02 728 0.110E+00 0.308E-01
DAV: 11 -0.903930166473E+02 -0.45262E-02 -0.13009E-02 613 0.632E-01 0.163E-01
DAV: 12 -0.903949286992E+02 -0.19121E-02 -0.23635E-03 669 0.260E-01 0.121E-01
DAV: 13 -0.903994993272E+02 -0.45706E-02 -0.33119E-03 689 0.387E-01 0.650E-02
DAV: 14 -0.904013174085E+02 -0.18181E-02 -0.57041E-04 704 0.144E-01 0.485E-02
DAV: 15 -0.904042581718E+02 -0.29408E-02 -0.69808E-04 634 0.142E-01 0.412E-02
DAV: 16 -0.904054375577E+02 -0.11794E-02 -0.20742E-04 701 0.743E-02 0.282E-02
DAV: 17 -0.904060485862E+02 -0.61103E-03 -0.14173E-04 783 0.812E-02 0.130E-02
DAV: 18 -0.904066185409E+02 -0.56995E-03 -0.84990E-05 679 0.526E-02 0.967E-03
DAV: 19 -0.904067984013E+02 -0.17986E-03 -0.14687E-05 485 0.219E-02 0.768E-03
DAV: 20 -0.904068849380E+02 -0.86537E-04 -0.20764E-05 514 0.265E-02 0.660E-03
DAV: 21 -0.904069335552E+02 -0.48617E-04 -0.61433E-06 444 0.126E-02 0.558E-03
DAV: 22 -0.904069500007E+02 -0.16445E-04 -0.34876E-06 455 0.113E-02 0.305E-03
DAV: 23 -0.904069581876E+02 -0.81870E-05 -0.55617E-06 400 0.159E-02
1 F= -.90406958E+02 E0= -.90412013E+02 d E =0.151632E-01