./iterations/neb0_image09_iter263_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 0.374168686221E+03 0.37417E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.330182184069E+01 -0.37087E+03 -0.35820E+03 869 0.196E+02
DAV: 3 -0.968645196113E+02 -0.10017E+03 -0.99842E+02 669 0.117E+02
DAV: 4 -0.101298655064E+03 -0.44341E+01 -0.44238E+01 720 0.283E+01
DAV: 5 -0.101384620764E+03 -0.85966E-01 -0.85929E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926856269846E+02 0.86990E+01 -0.31055E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.918128516711E+02 0.87278E+00 -0.17252E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914365457894E+02 0.37631E+00 -0.54261E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913553466290E+02 0.81199E-01 -0.13252E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913471719857E+02 0.81746E-02 -0.44932E-02 760 0.109E+00 0.302E-01
DAV: 11 -0.913517177457E+02 -0.45458E-02 -0.12885E-02 608 0.592E-01 0.139E-01
DAV: 12 -0.913548167143E+02 -0.30990E-02 -0.28691E-03 623 0.235E-01 0.112E-01
DAV: 13 -0.913583794954E+02 -0.35628E-02 -0.17482E-03 717 0.224E-01 0.420E-02
DAV: 14 -0.913617127220E+02 -0.33332E-02 -0.55531E-04 656 0.131E-01 0.296E-02
DAV: 15 -0.913631040574E+02 -0.13913E-02 -0.13036E-04 680 0.683E-02 0.298E-02
DAV: 16 -0.913643977260E+02 -0.12937E-02 -0.30184E-04 645 0.898E-02 0.190E-02
DAV: 17 -0.913646531422E+02 -0.25542E-03 -0.39042E-05 632 0.466E-02 0.128E-02
DAV: 18 -0.913648976676E+02 -0.24453E-03 -0.55029E-05 637 0.375E-02 0.101E-02
DAV: 19 -0.913649889936E+02 -0.91326E-04 -0.84702E-06 464 0.195E-02 0.524E-03
DAV: 20 -0.913650229612E+02 -0.33968E-04 -0.15007E-05 456 0.225E-02 0.331E-03
DAV: 21 -0.913650363040E+02 -0.13343E-04 -0.23943E-06 469 0.941E-03 0.245E-03
DAV: 22 -0.913650431240E+02 -0.68200E-05 -0.18035E-06 429 0.782E-03
1 F= -.91365043E+02 E0= -.91369819E+02 d E =0.143280E-01