iterations/neb0_image06_iter135_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 0.374885850344E+03 0.37489E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.382889946730E+01 -0.37106E+03 -0.35910E+03 882 0.194E+02
DAV: 3 -0.956751078702E+02 -0.99504E+02 -0.99186E+02 669 0.116E+02
DAV: 4 -0.100310203660E+03 -0.46351E+01 -0.46216E+01 712 0.285E+01
DAV: 5 -0.100405017963E+03 -0.94814E-01 -0.94765E-01 741 0.361E+00 0.226E+01
DAV: 6 -0.918724851267E+02 0.85325E+01 -0.30724E+01 712 0.304E+01 0.118E+01
DAV: 7 -0.910618840235E+02 0.81060E+00 -0.17107E+00 712 0.628E+00 0.481E+00
DAV: 8 -0.906856376241E+02 0.37625E+00 -0.52835E-01 720 0.404E+00 0.168E+00
DAV: 9 -0.905945110110E+02 0.91127E-01 -0.13275E-01 728 0.160E+00 0.418E-01
DAV: 10 -0.905847279069E+02 0.97831E-02 -0.39108E-02 760 0.999E-01 0.288E-01
DAV: 11 -0.905889593301E+02 -0.42314E-02 -0.97689E-03 605 0.522E-01 0.147E-01
DAV: 12 -0.905913723270E+02 -0.24130E-02 -0.19269E-03 639 0.241E-01 0.931E-02
DAV: 13 -0.905958148691E+02 -0.44425E-02 -0.17124E-03 652 0.213E-01 0.555E-02
DAV: 14 -0.905984394047E+02 -0.26245E-02 -0.51742E-04 880 0.168E-01 0.320E-02
DAV: 15 -0.906008241583E+02 -0.23848E-02 -0.37590E-04 637 0.930E-02 0.307E-02
DAV: 16 -0.906018240870E+02 -0.99993E-03 -0.13378E-04 813 0.704E-02 0.151E-02
DAV: 17 -0.906027148085E+02 -0.89072E-03 -0.11412E-04 634 0.503E-02 0.119E-02
DAV: 18 -0.906029553641E+02 -0.24056E-03 -0.13890E-05 496 0.208E-02 0.758E-03
DAV: 19 -0.906031486414E+02 -0.19328E-03 -0.42374E-05 548 0.294E-02 0.556E-03
DAV: 20 -0.906031621468E+02 -0.13505E-04 -0.23178E-06 536 0.128E-02 0.326E-03
DAV: 21 -0.906031865150E+02 -0.24368E-04 -0.10260E-05 414 0.204E-02 0.413E-03
DAV: 22 -0.906031961974E+02 -0.96824E-05 -0.21243E-06 450 0.119E-02
1 F= -.90603196E+02 E0= -.90607216E+02 d E =0.120586E-01