iterations/neb0_image03_iter13_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 0.363633548303E+03 0.36363E+03 -0.14238E+04 624 0.799E+02
DAV: 2 0.464325424936E+01 -0.35899E+03 -0.34610E+03 845 0.193E+02
DAV: 3 -0.943417099766E+02 -0.98985E+02 -0.98596E+02 704 0.115E+02
DAV: 4 -0.987651399433E+02 -0.44234E+01 -0.44118E+01 712 0.269E+01
DAV: 5 -0.988605862360E+02 -0.95446E-01 -0.95393E-01 728 0.343E+00 0.218E+01
DAV: 6 -0.903213907153E+02 0.85392E+01 -0.30969E+01 704 0.297E+01 0.112E+01
DAV: 7 -0.895387288191E+02 0.78266E+00 -0.17277E+00 728 0.660E+00 0.480E+00
DAV: 8 -0.891534965944E+02 0.38523E+00 -0.62357E-01 720 0.462E+00 0.168E+00
DAV: 9 -0.890660807865E+02 0.87416E-01 -0.13064E-01 720 0.173E+00 0.458E-01
DAV: 10 -0.890586546579E+02 0.74261E-02 -0.28781E-02 736 0.832E-01 0.311E-01
DAV: 11 -0.890608803377E+02 -0.22257E-02 -0.60638E-03 680 0.452E-01 0.128E-01
DAV: 12 -0.890637502231E+02 -0.28699E-02 -0.20288E-03 614 0.252E-01 0.101E-01
DAV: 13 -0.890677050533E+02 -0.39548E-02 -0.12311E-03 650 0.229E-01 0.702E-02
DAV: 14 -0.890705376757E+02 -0.28326E-02 -0.78313E-04 664 0.141E-01 0.478E-02
DAV: 15 -0.890730863182E+02 -0.25486E-02 -0.70324E-04 808 0.195E-01 0.375E-02
DAV: 16 -0.890740963344E+02 -0.10100E-02 -0.18297E-04 704 0.830E-02 0.273E-02
DAV: 17 -0.890750380058E+02 -0.94167E-03 -0.27482E-04 797 0.952E-02 0.166E-02
DAV: 18 -0.890755329658E+02 -0.49496E-03 -0.58853E-05 677 0.464E-02 0.105E-02
DAV: 19 -0.890756714885E+02 -0.13852E-03 -0.26702E-05 632 0.262E-02 0.571E-03
DAV: 20 -0.890757946202E+02 -0.12313E-03 -0.14135E-05 434 0.200E-02 0.317E-03
DAV: 21 -0.890758225092E+02 -0.27889E-04 -0.51253E-06 504 0.105E-02 0.312E-03
DAV: 22 -0.890758375961E+02 -0.15087E-04 -0.27916E-06 445 0.124E-02 0.132E-03
DAV: 23 -0.890758458067E+02 -0.82105E-05 -0.19699E-06 480 0.635E-03
1 F= -.89075846E+02 E0= -.89086844E+02 d E =0.329947E-01