iterations/neb0_image01_iter201_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 0.365868660845E+03 0.36587E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.324778811935E+01 -0.36262E+03 -0.34962E+03 839 0.196E+02
DAV: 3 -0.955531348189E+02 -0.98801E+02 -0.98453E+02 661 0.116E+02
DAV: 4 -0.100239596148E+03 -0.46865E+01 -0.46754E+01 696 0.291E+01
DAV: 5 -0.100333187548E+03 -0.93591E-01 -0.93543E-01 728 0.368E+00 0.222E+01
DAV: 6 -0.916959478193E+02 0.86372E+01 -0.30923E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908863283812E+02 0.80962E+00 -0.18294E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905096199615E+02 0.37671E+00 -0.55420E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904274238509E+02 0.82196E-01 -0.13300E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904228711492E+02 0.45527E-02 -0.46993E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904269666326E+02 -0.40955E-02 -0.78075E-03 608 0.560E-01 0.122E-01
DAV: 12 -0.904303531284E+02 -0.33865E-02 -0.64267E-03 637 0.445E-01 0.131E-01
DAV: 13 -0.904327748670E+02 -0.24217E-02 -0.15797E-03 861 0.307E-01 0.743E-02
DAV: 14 -0.904359673619E+02 -0.31925E-02 -0.14418E-03 634 0.191E-01 0.667E-02
DAV: 15 -0.904375985693E+02 -0.16312E-02 -0.30096E-04 680 0.111E-01 0.533E-02
DAV: 16 -0.904389980934E+02 -0.13995E-02 -0.10581E-03 661 0.201E-01 0.384E-02
DAV: 17 -0.904397922369E+02 -0.79414E-03 -0.14001E-04 661 0.820E-02 0.333E-02
DAV: 18 -0.904400970503E+02 -0.30481E-03 -0.84338E-05 680 0.463E-02 0.175E-02
DAV: 19 -0.904402841112E+02 -0.18706E-03 -0.82603E-05 631 0.501E-02 0.851E-03
DAV: 20 -0.904403136573E+02 -0.29546E-04 -0.83551E-06 504 0.203E-02 0.949E-03
DAV: 21 -0.904403495766E+02 -0.35919E-04 -0.67811E-06 412 0.147E-02 0.734E-03
DAV: 22 -0.904403630155E+02 -0.13439E-04 -0.47973E-06 480 0.176E-02 0.332E-03
DAV: 23 -0.904403662700E+02 -0.32545E-05 -0.77815E-06 504 0.161E-02
1 F= -.90440366E+02 E0= -.90445762E+02 d E =0.161862E-01