iterations/neb0_image07_iter232_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 0.371693611487E+03 0.37169E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.378984635133E+01 -0.36790E+03 -0.35599E+03 866 0.194E+02
DAV: 3 -0.966256036054E+02 -0.10042E+03 -0.10010E+03 696 0.116E+02
DAV: 4 -0.101134618114E+03 -0.45090E+01 -0.44968E+01 696 0.277E+01
DAV: 5 -0.101224769510E+03 -0.90151E-01 -0.90093E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.925894652530E+02 0.86353E+01 -0.30729E+01 720 0.299E+01 0.119E+01
DAV: 7 -0.917310784487E+02 0.85839E+00 -0.17366E+00 728 0.620E+00 0.480E+00
DAV: 8 -0.913559409257E+02 0.37514E+00 -0.54649E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912752838283E+02 0.80657E-01 -0.13050E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912665417878E+02 0.87420E-02 -0.39963E-02 760 0.103E+00 0.286E-01
DAV: 11 -0.912708854514E+02 -0.43437E-02 -0.11237E-02 608 0.552E-01 0.140E-01
DAV: 12 -0.912740347976E+02 -0.31493E-02 -0.26294E-03 624 0.269E-01 0.861E-02
DAV: 13 -0.912776847231E+02 -0.36499E-02 -0.12520E-03 639 0.166E-01 0.547E-02
DAV: 14 -0.912812670025E+02 -0.35823E-02 -0.11725E-03 741 0.257E-01 0.542E-02
DAV: 15 -0.912823184208E+02 -0.10514E-02 -0.35792E-04 704 0.121E-01 0.403E-02
DAV: 16 -0.912833335195E+02 -0.10151E-02 -0.26140E-04 744 0.922E-02 0.140E-02
DAV: 17 -0.912841958333E+02 -0.86231E-03 -0.11608E-04 704 0.533E-02 0.141E-02
DAV: 18 -0.912844686424E+02 -0.27281E-03 -0.19493E-05 568 0.188E-02 0.985E-03
DAV: 19 -0.912846033676E+02 -0.13473E-03 -0.32746E-05 599 0.325E-02 0.359E-03
DAV: 20 -0.912846269471E+02 -0.23580E-04 -0.35352E-06 512 0.117E-02 0.299E-03
DAV: 21 -0.912846392680E+02 -0.12321E-04 -0.19354E-06 412 0.689E-03 0.120E-03
DAV: 22 -0.912846442041E+02 -0.49361E-05 -0.76072E-07 472 0.383E-03
1 F= -.91284644E+02 E0= -.91290063E+02 d E =0.162571E-01