iterations/neb0_image08_iter271_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 0.374113405227E+03 0.37411E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.324931626112E+01 -0.37086E+03 -0.35940E+03 877 0.196E+02
DAV: 3 -0.966405635244E+02 -0.99890E+02 -0.99579E+02 661 0.116E+02
DAV: 4 -0.101235859837E+03 -0.45953E+01 -0.45830E+01 712 0.287E+01
DAV: 5 -0.101326403194E+03 -0.90543E-01 -0.90497E-01 736 0.364E+00 0.227E+01
DAV: 6 -0.926559797369E+02 0.86704E+01 -0.30923E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917891611182E+02 0.86682E+00 -0.16990E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914143040365E+02 0.37486E+00 -0.54529E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913350403794E+02 0.79264E-01 -0.13007E-01 728 0.154E+00 0.421E-01
DAV: 10 -0.913268699081E+02 0.81705E-02 -0.46147E-02 749 0.110E+00 0.306E-01
DAV: 11 -0.913319164986E+02 -0.50466E-02 -0.15265E-02 608 0.639E-01 0.160E-01
DAV: 12 -0.913347350204E+02 -0.28185E-02 -0.30816E-03 634 0.237E-01 0.112E-01
DAV: 13 -0.913385472751E+02 -0.38123E-02 -0.28698E-03 639 0.281E-01 0.607E-02
DAV: 14 -0.913417432716E+02 -0.31960E-02 -0.97966E-04 656 0.175E-01 0.281E-02
DAV: 15 -0.913430811728E+02 -0.13379E-02 -0.17349E-04 680 0.696E-02 0.169E-02
DAV: 16 -0.913441443168E+02 -0.10631E-02 -0.15210E-04 639 0.673E-02 0.109E-02
DAV: 17 -0.913444648707E+02 -0.32055E-03 -0.26586E-05 560 0.263E-02 0.929E-03
DAV: 18 -0.913446210135E+02 -0.15614E-03 -0.24409E-05 592 0.295E-02 0.469E-03
DAV: 19 -0.913447121196E+02 -0.91106E-04 -0.83170E-06 458 0.142E-02 0.304E-03
DAV: 20 -0.913447322412E+02 -0.20122E-04 -0.28337E-06 496 0.712E-03 0.142E-03
DAV: 21 -0.913447499452E+02 -0.17704E-04 -0.23999E-06 406 0.747E-03 0.122E-03
DAV: 22 -0.913447524674E+02 -0.25221E-05 -0.65115E-07 480 0.345E-03
1 F= -.91344752E+02 E0= -.91349633E+02 d E =0.146420E-01