./iterations/neb0_image06_iter133_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 0.374676708202E+03 0.37468E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.384445723610E+01 -0.37083E+03 -0.35890E+03 882 0.194E+02
DAV: 3 -0.956560177042E+02 -0.99500E+02 -0.99182E+02 669 0.116E+02
DAV: 4 -0.100293589044E+03 -0.46376E+01 -0.46240E+01 712 0.285E+01
DAV: 5 -0.100388669052E+03 -0.95080E-01 -0.95032E-01 744 0.362E+00 0.225E+01
DAV: 6 -0.918610760624E+02 0.85276E+01 -0.30772E+01 704 0.304E+01 0.118E+01
DAV: 7 -0.910547088190E+02 0.80637E+00 -0.17058E+00 712 0.628E+00 0.481E+00
DAV: 8 -0.906777767393E+02 0.37693E+00 -0.52707E-01 736 0.404E+00 0.167E+00
DAV: 9 -0.905862724145E+02 0.91504E-01 -0.13297E-01 728 0.161E+00 0.420E-01
DAV: 10 -0.905762420424E+02 0.10030E-01 -0.39248E-02 760 0.101E+00 0.288E-01
DAV: 11 -0.905803512162E+02 -0.41092E-02 -0.96191E-03 605 0.522E-01 0.147E-01
DAV: 12 -0.905827819122E+02 -0.24307E-02 -0.19483E-03 631 0.250E-01 0.934E-02
DAV: 13 -0.905871722592E+02 -0.43903E-02 -0.17160E-03 652 0.215E-01 0.573E-02
DAV: 14 -0.905898185387E+02 -0.26463E-02 -0.54267E-04 880 0.174E-01 0.322E-02
DAV: 15 -0.905922357740E+02 -0.24172E-02 -0.37806E-04 621 0.942E-02 0.317E-02
DAV: 16 -0.905933204180E+02 -0.10846E-02 -0.14687E-04 813 0.726E-02 0.168E-02
DAV: 17 -0.905942016422E+02 -0.88122E-03 -0.11947E-04 634 0.528E-02 0.121E-02
DAV: 18 -0.905944620758E+02 -0.26043E-03 -0.16980E-05 520 0.229E-02 0.729E-03
DAV: 19 -0.905946529464E+02 -0.19087E-03 -0.37893E-05 554 0.265E-02 0.489E-03
DAV: 20 -0.905946708132E+02 -0.17867E-04 -0.23574E-06 536 0.139E-02 0.216E-03
DAV: 21 -0.905947000711E+02 -0.29258E-04 -0.10830E-05 415 0.197E-02 0.485E-03
DAV: 22 -0.905947050577E+02 -0.49866E-05 -0.18296E-06 477 0.122E-02
1 F= -.90594705E+02 E0= -.90598753E+02 d E =0.121431E-01