iterations/neb0_image08_iter272_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 0.374106133455E+03 0.37411E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.325862870680E+01 -0.37085E+03 -0.35940E+03 877 0.196E+02
DAV: 3 -0.965444538471E+02 -0.99803E+02 -0.99490E+02 653 0.116E+02
DAV: 4 -0.101227792739E+03 -0.46833E+01 -0.46710E+01 712 0.291E+01
DAV: 5 -0.101320661761E+03 -0.92869E-01 -0.92822E-01 736 0.370E+00 0.227E+01
DAV: 6 -0.926549306070E+02 0.86657E+01 -0.30890E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917893267186E+02 0.86560E+00 -0.16984E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914149465790E+02 0.37438E+00 -0.54590E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913357757512E+02 0.79171E-01 -0.12964E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913275546686E+02 0.82211E-02 -0.46034E-02 744 0.109E+00 0.306E-01
DAV: 11 -0.913325847553E+02 -0.50301E-02 -0.15081E-02 608 0.634E-01 0.159E-01
DAV: 12 -0.913354258581E+02 -0.28411E-02 -0.30633E-03 637 0.237E-01 0.112E-01
DAV: 13 -0.913392302577E+02 -0.38044E-02 -0.27784E-03 639 0.276E-01 0.593E-02
DAV: 14 -0.913425322355E+02 -0.33020E-02 -0.10085E-03 648 0.179E-01 0.294E-02
DAV: 15 -0.913437514774E+02 -0.12192E-02 -0.17280E-04 680 0.721E-02 0.177E-02
DAV: 16 -0.913447908108E+02 -0.10393E-02 -0.15641E-04 639 0.712E-02 0.109E-02
DAV: 17 -0.913451453777E+02 -0.35457E-03 -0.29895E-05 608 0.281E-02 0.101E-02
DAV: 18 -0.913452920887E+02 -0.14671E-03 -0.20939E-05 560 0.284E-02 0.459E-03
DAV: 19 -0.913454028414E+02 -0.11075E-03 -0.12363E-05 474 0.142E-02 0.311E-03
DAV: 20 -0.913454232119E+02 -0.20370E-04 -0.21733E-06 520 0.622E-03 0.173E-03
DAV: 21 -0.913454428393E+02 -0.19627E-04 -0.35344E-06 406 0.990E-03 0.157E-03
DAV: 22 -0.913454437647E+02 -0.92538E-06 -0.67759E-07 520 0.410E-03
1 F= -.91345444E+02 E0= -.91350258E+02 d E =0.144435E-01