./iterations/neb0_image07_iter236_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 0.372014005732E+03 0.37201E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.391891534112E+01 -0.36810E+03 -0.35625E+03 863 0.194E+02
DAV: 3 -0.965490198794E+02 -0.10047E+03 -0.10015E+03 685 0.116E+02
DAV: 4 -0.101158103009E+03 -0.46091E+01 -0.45965E+01 696 0.281E+01
DAV: 5 -0.101250726928E+03 -0.92624E-01 -0.92561E-01 736 0.357E+00 0.228E+01
DAV: 6 -0.926015298794E+02 0.86492E+01 -0.30693E+01 728 0.299E+01 0.119E+01
DAV: 7 -0.917397343059E+02 0.86180E+00 -0.17436E+00 728 0.619E+00 0.481E+00
DAV: 8 -0.913647802544E+02 0.37495E+00 -0.54504E-01 728 0.397E+00 0.161E+00
DAV: 9 -0.912838852919E+02 0.80895E-01 -0.13117E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.912751054770E+02 0.87798E-02 -0.40181E-02 760 0.103E+00 0.287E-01
DAV: 11 -0.912794550946E+02 -0.43496E-02 -0.11263E-02 608 0.551E-01 0.139E-01
DAV: 12 -0.912825946685E+02 -0.31396E-02 -0.26307E-03 621 0.268E-01 0.868E-02
DAV: 13 -0.912862749978E+02 -0.36803E-02 -0.12703E-03 639 0.168E-01 0.547E-02
DAV: 14 -0.912899080343E+02 -0.36330E-02 -0.11921E-03 757 0.259E-01 0.552E-02
DAV: 15 -0.912909448690E+02 -0.10368E-02 -0.39490E-04 704 0.125E-01 0.410E-02
DAV: 16 -0.912919322192E+02 -0.98735E-03 -0.23331E-04 733 0.853E-02 0.136E-02
DAV: 17 -0.912927965228E+02 -0.86430E-03 -0.12817E-04 704 0.581E-02 0.147E-02
DAV: 18 -0.912930705342E+02 -0.27401E-03 -0.22466E-05 560 0.256E-02 0.869E-03
DAV: 19 -0.912931888978E+02 -0.11836E-03 -0.29699E-05 552 0.288E-02 0.404E-03
DAV: 20 -0.912932095508E+02 -0.20653E-04 -0.23732E-06 528 0.100E-02 0.267E-03
DAV: 21 -0.912932249487E+02 -0.15398E-04 -0.19429E-06 421 0.736E-03 0.802E-04
DAV: 22 -0.912932332567E+02 -0.83079E-05 -0.11428E-06 445 0.417E-03
1 F= -.91293233E+02 E0= -.91298418E+02 d E =0.155552E-01