iterations/neb0_image08_iter262_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 0.374152526374E+03 0.37415E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.392707568191E+01 -0.37023E+03 -0.35786E+03 869 0.196E+02
DAV: 3 -0.965459760276E+02 -0.10047E+03 -0.10015E+03 653 0.117E+02
DAV: 4 -0.101256546023E+03 -0.47106E+01 -0.46985E+01 720 0.293E+01
DAV: 5 -0.101349218729E+03 -0.92673E-01 -0.92623E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926556290702E+02 0.86936E+01 -0.31020E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917941294563E+02 0.86150E+00 -0.17223E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914204898730E+02 0.37364E+00 -0.53652E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913397453511E+02 0.80745E-01 -0.13164E-01 736 0.154E+00 0.420E-01
DAV: 10 -0.913314361451E+02 0.83092E-02 -0.45605E-02 752 0.109E+00 0.304E-01
DAV: 11 -0.913363296130E+02 -0.48935E-02 -0.14852E-02 608 0.632E-01 0.157E-01
DAV: 12 -0.913391310865E+02 -0.28015E-02 -0.28223E-03 626 0.228E-01 0.116E-01
DAV: 13 -0.913429642284E+02 -0.38331E-02 -0.30650E-03 639 0.289E-01 0.611E-02
DAV: 14 -0.913461180504E+02 -0.31538E-02 -0.89411E-04 664 0.171E-01 0.237E-02
DAV: 15 -0.913476243687E+02 -0.15063E-02 -0.16819E-04 664 0.625E-02 0.167E-02
DAV: 16 -0.913486035329E+02 -0.97916E-03 -0.12103E-04 642 0.617E-02 0.102E-02
DAV: 17 -0.913490064490E+02 -0.40292E-03 -0.40227E-05 672 0.265E-02 0.968E-03
DAV: 18 -0.913491081186E+02 -0.10167E-03 -0.90206E-06 496 0.206E-02 0.450E-03
DAV: 19 -0.913492303846E+02 -0.12227E-03 -0.22416E-05 516 0.215E-02 0.482E-03
DAV: 20 -0.913492422171E+02 -0.11833E-04 -0.20807E-06 512 0.127E-02 0.214E-03
DAV: 21 -0.913492595891E+02 -0.17372E-04 -0.55089E-06 406 0.133E-02 0.273E-03
DAV: 22 -0.913492625991E+02 -0.30100E-05 -0.85773E-07 480 0.709E-03
1 F= -.91349263E+02 E0= -.91354192E+02 d E =0.147872E-01