iterations/neb0_image08_iter240_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 0.374394938749E+03 0.37439E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.372214805004E+01 -0.37067E+03 -0.35822E+03 869 0.196E+02
DAV: 3 -0.967981301349E+02 -0.10052E+03 -0.10020E+03 672 0.117E+02
DAV: 4 -0.101299384060E+03 -0.45013E+01 -0.44887E+01 720 0.284E+01
DAV: 5 -0.101386213283E+03 -0.86829E-01 -0.86780E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926705955498E+02 0.87156E+01 -0.30987E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917928299765E+02 0.87777E+00 -0.17368E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914157388033E+02 0.37709E+00 -0.54508E-01 712 0.397E+00 0.161E+00
DAV: 9 -0.913362920532E+02 0.79447E-01 -0.13313E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.913285436797E+02 0.77484E-02 -0.46677E-02 744 0.112E+00 0.308E-01
DAV: 11 -0.913335286897E+02 -0.49850E-02 -0.15704E-02 616 0.652E-01 0.159E-01
DAV: 12 -0.913362900550E+02 -0.27614E-02 -0.29694E-03 631 0.236E-01 0.114E-01
DAV: 13 -0.913399978920E+02 -0.37078E-02 -0.28649E-03 642 0.280E-01 0.580E-02
DAV: 14 -0.913431760745E+02 -0.31782E-02 -0.94685E-04 653 0.177E-01 0.282E-02
DAV: 15 -0.913444793302E+02 -0.13033E-02 -0.17506E-04 688 0.739E-02 0.182E-02
DAV: 16 -0.913455510781E+02 -0.10717E-02 -0.14230E-04 628 0.654E-02 0.101E-02
DAV: 17 -0.913459765390E+02 -0.42546E-03 -0.35721E-05 613 0.280E-02 0.101E-02
DAV: 18 -0.913461579858E+02 -0.18145E-03 -0.25762E-05 528 0.302E-02 0.404E-03
DAV: 19 -0.913462382935E+02 -0.80308E-04 -0.86559E-06 466 0.129E-02 0.323E-03
DAV: 20 -0.913462590779E+02 -0.20784E-04 -0.28849E-06 480 0.783E-03 0.157E-03
DAV: 21 -0.913462707964E+02 -0.11718E-04 -0.21795E-06 417 0.799E-03 0.156E-03
DAV: 22 -0.913462728173E+02 -0.20209E-05 -0.62873E-07 480 0.372E-03
1 F= -.91346273E+02 E0= -.91351279E+02 d E =0.150194E-01