iterations/neb0_image03_iter132_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 0.366155217118E+03 0.36616E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.208311088249E+01 -0.36407E+03 -0.35293E+03 861 0.195E+02
DAV: 3 -0.958707563016E+02 -0.97954E+02 -0.97642E+02 680 0.116E+02
DAV: 4 -0.100193234303E+03 -0.43225E+01 -0.43128E+01 696 0.276E+01
DAV: 5 -0.100279427048E+03 -0.86193E-01 -0.86156E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916946224532E+02 0.85848E+01 -0.30712E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908516378515E+02 0.84298E+00 -0.18232E+00 712 0.646E+00 0.483E+00
DAV: 8 -0.904489608053E+02 0.40268E+00 -0.56834E-01 704 0.444E+00 0.169E+00
DAV: 9 -0.903541322967E+02 0.94829E-01 -0.12933E-01 704 0.196E+00 0.481E-01
DAV: 10 -0.903445409927E+02 0.95913E-02 -0.38750E-02 720 0.974E-01 0.349E-01
DAV: 11 -0.903464982729E+02 -0.19573E-02 -0.81337E-03 704 0.672E-01 0.183E-01
DAV: 12 -0.903484374774E+02 -0.19392E-02 -0.39174E-03 629 0.403E-01 0.119E-01
DAV: 13 -0.903527886256E+02 -0.43511E-02 -0.32545E-03 618 0.286E-01 0.863E-02
DAV: 14 -0.903578298052E+02 -0.50412E-02 -0.12842E-03 647 0.174E-01 0.550E-02
DAV: 15 -0.903593956507E+02 -0.15658E-02 -0.26134E-04 888 0.107E-01 0.250E-02
DAV: 16 -0.903611319990E+02 -0.17363E-02 -0.16114E-04 661 0.625E-02 0.153E-02
DAV: 17 -0.903622190613E+02 -0.10871E-02 -0.83085E-05 616 0.368E-02 0.111E-02
DAV: 18 -0.903627445305E+02 -0.52547E-03 -0.74268E-05 656 0.390E-02 0.671E-03
DAV: 19 -0.903628151391E+02 -0.70609E-04 -0.78267E-06 544 0.207E-02 0.412E-03
DAV: 20 -0.903628968362E+02 -0.81697E-04 -0.15688E-05 431 0.226E-02 0.524E-03
DAV: 21 -0.903629332286E+02 -0.36392E-04 -0.62302E-06 456 0.157E-02 0.330E-03
DAV: 22 -0.903629412842E+02 -0.80556E-05 -0.47151E-06 504 0.141E-02
1 F= -.90362941E+02 E0= -.90371634E+02 d E =0.260791E-01