iterations/neb0_image08_iter126_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 0.374540024273E+03 0.37454E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.320005363116E+01 -0.37134E+03 -0.35850E+03 869 0.196E+02
DAV: 3 -0.967353770312E+02 -0.99935E+02 -0.99595E+02 677 0.117E+02
DAV: 4 -0.101140091557E+03 -0.44047E+01 -0.43942E+01 704 0.278E+01
DAV: 5 -0.101227642243E+03 -0.87551E-01 -0.87517E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926160880611E+02 0.86116E+01 -0.30830E+01 714 0.302E+01 0.118E+01
DAV: 7 -0.917589444169E+02 0.85714E+00 -0.17003E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913820600250E+02 0.37688E+00 -0.55643E-01 712 0.402E+00 0.162E+00
DAV: 9 -0.912998670418E+02 0.82193E-01 -0.13013E-01 720 0.156E+00 0.424E-01
DAV: 10 -0.912909124369E+02 0.89546E-02 -0.45415E-02 728 0.111E+00 0.303E-01
DAV: 11 -0.912957638144E+02 -0.48514E-02 -0.13781E-02 605 0.605E-01 0.157E-01
DAV: 12 -0.912986069826E+02 -0.28432E-02 -0.28767E-03 620 0.254E-01 0.108E-01
DAV: 13 -0.913020715203E+02 -0.34645E-02 -0.14682E-03 666 0.204E-01 0.480E-02
DAV: 14 -0.913055790977E+02 -0.35076E-02 -0.86008E-04 648 0.193E-01 0.387E-02
DAV: 15 -0.913068594207E+02 -0.12803E-02 -0.25696E-04 680 0.101E-01 0.398E-02
DAV: 16 -0.913079331028E+02 -0.10737E-02 -0.29787E-04 680 0.984E-02 0.169E-02
DAV: 17 -0.913085742690E+02 -0.64117E-03 -0.80337E-05 661 0.515E-02 0.147E-02
DAV: 18 -0.913088316395E+02 -0.25737E-03 -0.43617E-05 592 0.350E-02 0.116E-02
DAV: 19 -0.913089530329E+02 -0.12139E-03 -0.18110E-05 472 0.229E-02 0.556E-03
DAV: 20 -0.913089878926E+02 -0.34860E-04 -0.77489E-06 456 0.138E-02 0.293E-03
DAV: 21 -0.913090129887E+02 -0.25096E-04 -0.52465E-06 412 0.150E-02 0.182E-03
DAV: 22 -0.913090195504E+02 -0.65617E-05 -0.20308E-06 472 0.659E-03
1 F= -.91309020E+02 E0= -.91314042E+02 d E =0.150675E-01