./iterations/neb0_image02_iter261_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 0.366461743743E+03 0.36646E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.289868655484E+00 -0.36617E+03 -0.35550E+03 877 0.196E+02
DAV: 3 -0.956540626419E+02 -0.95944E+02 -0.95614E+02 621 0.115E+02
DAV: 4 -0.100269692144E+03 -0.46156E+01 -0.46054E+01 712 0.297E+01
DAV: 5 -0.100361591483E+03 -0.91899E-01 -0.91867E-01 736 0.376E+00 0.223E+01
DAV: 6 -0.916837132586E+02 0.86779E+01 -0.30927E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908565223449E+02 0.82719E+00 -0.18192E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904753243145E+02 0.38120E+00 -0.55619E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903906214670E+02 0.84703E-01 -0.13482E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903861194323E+02 0.45020E-02 -0.48863E-02 712 0.126E+00 0.328E-01
DAV: 11 -0.903898837320E+02 -0.37643E-02 -0.77723E-03 624 0.593E-01 0.119E-01
DAV: 12 -0.903930077541E+02 -0.31240E-02 -0.68031E-03 632 0.426E-01 0.137E-01
DAV: 13 -0.903955050099E+02 -0.24973E-02 -0.20044E-03 877 0.340E-01 0.801E-02
DAV: 14 -0.903986250004E+02 -0.31200E-02 -0.13463E-03 612 0.175E-01 0.715E-02
DAV: 15 -0.904003555502E+02 -0.17305E-02 -0.28734E-04 688 0.100E-01 0.548E-02
DAV: 16 -0.904018314235E+02 -0.14759E-02 -0.10569E-03 669 0.193E-01 0.386E-02
DAV: 17 -0.904024234870E+02 -0.59206E-03 -0.12049E-04 672 0.781E-02 0.297E-02
DAV: 18 -0.904027672638E+02 -0.34378E-03 -0.12101E-04 647 0.554E-02 0.937E-03
DAV: 19 -0.904029272600E+02 -0.16000E-03 -0.33737E-05 581 0.294E-02 0.685E-03
DAV: 20 -0.904029604148E+02 -0.33155E-04 -0.34537E-06 504 0.120E-02 0.637E-03
DAV: 21 -0.904030075828E+02 -0.47168E-04 -0.11315E-05 420 0.193E-02 0.333E-03
DAV: 22 -0.904030114545E+02 -0.38717E-05 -0.45100E-06 504 0.122E-02
1 F= -.90403011E+02 E0= -.90409343E+02 d E =0.189936E-01