./iterations/neb0_image08_iter170_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 0.373645422845E+03 0.37365E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.269887126483E+01 -0.37095E+03 -0.35957E+03 871 0.196E+02
DAV: 3 -0.967178899479E+02 -0.99417E+02 -0.99111E+02 669 0.116E+02
DAV: 4 -0.101208971946E+03 -0.44911E+01 -0.44795E+01 704 0.284E+01
DAV: 5 -0.101298697105E+03 -0.89725E-01 -0.89672E-01 712 0.362E+00 0.227E+01
DAV: 6 -0.926425695761E+02 0.86561E+01 -0.30983E+01 725 0.301E+01 0.118E+01
DAV: 7 -0.917844923427E+02 0.85808E+00 -0.17193E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914109503552E+02 0.37354E+00 -0.54443E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.913306088671E+02 0.80341E-01 -0.12933E-01 712 0.154E+00 0.420E-01
DAV: 10 -0.913224159198E+02 0.81929E-02 -0.43052E-02 768 0.107E+00 0.296E-01
DAV: 11 -0.913271704697E+02 -0.47545E-02 -0.12371E-02 608 0.579E-01 0.142E-01
DAV: 12 -0.913300387607E+02 -0.28683E-02 -0.26415E-03 633 0.250E-01 0.954E-02
DAV: 13 -0.913334498027E+02 -0.34110E-02 -0.14033E-03 634 0.184E-01 0.473E-02
DAV: 14 -0.913373145578E+02 -0.38648E-02 -0.11995E-03 730 0.242E-01 0.517E-02
DAV: 15 -0.913379618007E+02 -0.64724E-03 -0.30329E-04 712 0.114E-01 0.373E-02
DAV: 16 -0.913387429899E+02 -0.78119E-03 -0.22649E-04 768 0.879E-02 0.146E-02
DAV: 17 -0.913397084309E+02 -0.96544E-03 -0.13261E-04 661 0.547E-02 0.153E-02
DAV: 18 -0.913399619241E+02 -0.25349E-03 -0.20934E-05 584 0.209E-02 0.114E-02
DAV: 19 -0.913401124557E+02 -0.15053E-03 -0.44994E-05 629 0.378E-02 0.543E-03
DAV: 20 -0.913401281667E+02 -0.15711E-04 -0.37760E-06 520 0.142E-02 0.374E-03
DAV: 21 -0.913401431986E+02 -0.15032E-04 -0.40208E-06 410 0.111E-02 0.111E-03
DAV: 22 -0.913401506160E+02 -0.74175E-05 -0.10763E-06 448 0.450E-03
1 F= -.91340151E+02 E0= -.91345477E+02 d E =0.159784E-01