./iterations/neb0_image09_iter141_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 0.374491715722E+03 0.37449E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.239627542089E+01 -0.37210E+03 -0.35987E+03 877 0.196E+02
DAV: 3 -0.968328396913E+02 -0.99229E+02 -0.98892E+02 664 0.117E+02
DAV: 4 -0.101258766907E+03 -0.44259E+01 -0.44164E+01 712 0.284E+01
DAV: 5 -0.101345239596E+03 -0.86473E-01 -0.86434E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926784718423E+02 0.86668E+01 -0.30902E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918073386717E+02 0.87113E+00 -0.17147E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914297836853E+02 0.37755E+00 -0.54640E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913481687756E+02 0.81615E-01 -0.13047E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913395655560E+02 0.86032E-02 -0.45255E-02 768 0.112E+00 0.302E-01
DAV: 11 -0.913438790913E+02 -0.43135E-02 -0.12157E-02 616 0.575E-01 0.135E-01
DAV: 12 -0.913470112916E+02 -0.31322E-02 -0.30251E-03 634 0.244E-01 0.115E-01
DAV: 13 -0.913507498742E+02 -0.37386E-02 -0.14609E-03 725 0.214E-01 0.421E-02
DAV: 14 -0.913539361800E+02 -0.31863E-02 -0.55829E-04 664 0.121E-01 0.377E-02
DAV: 15 -0.913556363584E+02 -0.17002E-02 -0.14971E-04 688 0.735E-02 0.335E-02
DAV: 16 -0.913569070987E+02 -0.12707E-02 -0.34756E-04 647 0.907E-02 0.213E-02
DAV: 17 -0.913572136031E+02 -0.30650E-03 -0.88633E-05 752 0.669E-02 0.120E-02
DAV: 18 -0.913574470640E+02 -0.23346E-03 -0.37088E-05 559 0.261E-02 0.106E-02
DAV: 19 -0.913574964807E+02 -0.49417E-04 -0.10044E-05 496 0.194E-02 0.414E-03
DAV: 20 -0.913575331817E+02 -0.36701E-04 -0.98597E-06 415 0.189E-02 0.292E-03
DAV: 21 -0.913575450749E+02 -0.11893E-04 -0.24930E-06 480 0.775E-03 0.294E-03
DAV: 22 -0.913575514221E+02 -0.63472E-05 -0.10363E-06 401 0.750E-03
1 F= -.91357551E+02 E0= -.91362323E+02 d E =0.143134E-01