./iterations/neb0_image07_iter253_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 0.371904879493E+03 0.37190E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.381028382950E+01 -0.36809E+03 -0.35637E+03 866 0.194E+02
DAV: 3 -0.966788479087E+02 -0.10049E+03 -0.10016E+03 693 0.116E+02
DAV: 4 -0.101193105215E+03 -0.45143E+01 -0.45027E+01 704 0.280E+01
DAV: 5 -0.101281745629E+03 -0.88640E-01 -0.88590E-01 736 0.354E+00 0.227E+01
DAV: 6 -0.926157820647E+02 0.86660E+01 -0.30933E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917582931043E+02 0.85749E+00 -0.17216E+00 736 0.615E+00 0.480E+00
DAV: 8 -0.913829956475E+02 0.37530E+00 -0.53579E-01 736 0.394E+00 0.163E+00
DAV: 9 -0.913003526320E+02 0.82643E-01 -0.13063E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912913081610E+02 0.90445E-02 -0.43517E-02 757 0.107E+00 0.298E-01
DAV: 11 -0.912959335608E+02 -0.46254E-02 -0.13612E-02 608 0.605E-01 0.153E-01
DAV: 12 -0.912988574692E+02 -0.29239E-02 -0.28617E-03 615 0.264E-01 0.943E-02
DAV: 13 -0.913025083787E+02 -0.36509E-02 -0.15425E-03 636 0.192E-01 0.499E-02
DAV: 14 -0.913062769083E+02 -0.37685E-02 -0.11304E-03 711 0.240E-01 0.516E-02
DAV: 15 -0.913073347899E+02 -0.10579E-02 -0.38296E-04 704 0.119E-01 0.360E-02
DAV: 16 -0.913080770806E+02 -0.74229E-03 -0.17972E-04 720 0.811E-02 0.137E-02
DAV: 17 -0.913090500699E+02 -0.97299E-03 -0.14765E-04 722 0.631E-02 0.164E-02
DAV: 18 -0.913092914604E+02 -0.24139E-03 -0.27511E-05 616 0.371E-02 0.735E-03
DAV: 19 -0.913094055695E+02 -0.11411E-03 -0.26648E-05 576 0.258E-02 0.530E-03
DAV: 20 -0.913094410237E+02 -0.35454E-04 -0.28624E-06 488 0.119E-02 0.268E-03
DAV: 21 -0.913094637957E+02 -0.22772E-04 -0.34010E-06 440 0.945E-03 0.104E-03
DAV: 22 -0.913094740880E+02 -0.10292E-04 -0.11137E-06 453 0.404E-03 0.711E-04
DAV: 23 -0.913094760275E+02 -0.19395E-05 -0.28469E-07 488 0.196E-03
1 F= -.91309476E+02 E0= -.91314317E+02 d E =0.145218E-01