./iterations/neb0_image05_iter283_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 0.368221546955E+03 0.36822E+03 -0.14314E+04 624 0.799E+02
DAV: 2 0.415330102243E+01 -0.36407E+03 -0.35101E+03 845 0.196E+02
DAV: 3 -0.952687554226E+02 -0.99422E+02 -0.99075E+02 640 0.117E+02
DAV: 4 -0.100171893289E+03 -0.49031E+01 -0.48903E+01 704 0.302E+01
DAV: 5 -0.100270775050E+03 -0.98882E-01 -0.98837E-01 736 0.384E+00 0.223E+01
DAV: 6 -0.915890886364E+02 0.86817E+01 -0.31016E+01 688 0.301E+01 0.118E+01
DAV: 7 -0.907661320849E+02 0.82296E+00 -0.18119E+00 712 0.657E+00 0.485E+00
DAV: 8 -0.903791342535E+02 0.38700E+00 -0.52482E-01 728 0.444E+00 0.179E+00
DAV: 9 -0.902931891722E+02 0.85945E-01 -0.14833E-01 728 0.194E+00 0.530E-01
DAV: 10 -0.902820478961E+02 0.11141E-01 -0.27119E-02 720 0.903E-01 0.328E-01
DAV: 11 -0.902831522098E+02 -0.11043E-02 -0.12410E-02 728 0.587E-01 0.202E-01
DAV: 12 -0.902861557858E+02 -0.30036E-02 -0.48175E-03 688 0.421E-01 0.112E-01
DAV: 13 -0.902887843437E+02 -0.26286E-02 -0.11927E-03 648 0.190E-01 0.974E-02
DAV: 14 -0.902929766500E+02 -0.41923E-02 -0.21399E-03 697 0.274E-01 0.571E-02
DAV: 15 -0.902953350354E+02 -0.23584E-02 -0.41082E-04 704 0.123E-01 0.412E-02
DAV: 16 -0.902978474390E+02 -0.25124E-02 -0.64661E-04 650 0.152E-01 0.286E-02
DAV: 17 -0.902988443542E+02 -0.99692E-03 -0.12422E-04 712 0.602E-02 0.225E-02
DAV: 18 -0.902996048654E+02 -0.76051E-03 -0.18738E-04 700 0.806E-02 0.111E-02
DAV: 19 -0.902998024112E+02 -0.19755E-03 -0.43816E-05 696 0.360E-02 0.108E-02
DAV: 20 -0.902998729303E+02 -0.70519E-04 -0.73542E-06 466 0.146E-02 0.701E-03
DAV: 21 -0.902999283100E+02 -0.55380E-04 -0.28154E-05 550 0.315E-02 0.584E-03
DAV: 22 -0.902999376790E+02 -0.93690E-05 -0.32584E-06 488 0.124E-02
1 F= -.90299938E+02 E0= -.90308052E+02 d E =0.243418E-01