./iterations/neb0_image09_iter21_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 0.373360944168E+03 0.37336E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.196444082381E+01 -0.37140E+03 -0.35891E+03 882 0.196E+02
DAV: 3 -0.966303838444E+02 -0.98595E+02 -0.98266E+02 656 0.116E+02
DAV: 4 -0.101154649151E+03 -0.45243E+01 -0.45141E+01 688 0.288E+01
DAV: 5 -0.101244417679E+03 -0.89769E-01 -0.89721E-01 736 0.368E+00 0.226E+01
DAV: 6 -0.926050773214E+02 0.86393E+01 -0.30862E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.917392769698E+02 0.86580E+00 -0.16963E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.913641464187E+02 0.37513E+00 -0.54968E-01 712 0.396E+00 0.164E+00
DAV: 9 -0.912813064277E+02 0.82840E-01 -0.12988E-01 712 0.154E+00 0.426E-01
DAV: 10 -0.912722564907E+02 0.90499E-02 -0.40762E-02 752 0.103E+00 0.291E-01
DAV: 11 -0.912768913823E+02 -0.46349E-02 -0.12105E-02 613 0.568E-01 0.151E-01
DAV: 12 -0.912796729250E+02 -0.27815E-02 -0.23495E-03 626 0.243E-01 0.975E-02
DAV: 13 -0.912835219101E+02 -0.38490E-02 -0.16470E-03 661 0.198E-01 0.489E-02
DAV: 14 -0.912868151667E+02 -0.32933E-02 -0.79900E-04 736 0.201E-01 0.384E-02
DAV: 15 -0.912882486929E+02 -0.14335E-02 -0.27335E-04 664 0.961E-02 0.304E-02
DAV: 16 -0.912891830207E+02 -0.93433E-03 -0.19359E-04 797 0.853E-02 0.198E-02
DAV: 17 -0.912900572226E+02 -0.87420E-03 -0.14726E-04 645 0.596E-02 0.153E-02
DAV: 18 -0.912902783241E+02 -0.22110E-03 -0.21602E-05 584 0.255E-02 0.109E-02
DAV: 19 -0.912904623685E+02 -0.18404E-03 -0.52976E-05 623 0.386E-02 0.783E-03
DAV: 20 -0.912904684911E+02 -0.61226E-05 -0.40534E-06 536 0.168E-02
1 F= -.91290468E+02 E0= -.91295424E+02 d E =0.148654E-01