iterations/neb0_image08_iter144_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 0.375143768705E+03 0.37514E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.362139168903E+01 -0.37152E+03 -0.35924E+03 866 0.196E+02
DAV: 3 -0.967346890190E+02 -0.10036E+03 -0.10004E+03 669 0.117E+02
DAV: 4 -0.101253471112E+03 -0.45188E+01 -0.45072E+01 728 0.284E+01
DAV: 5 -0.101342142336E+03 -0.88671E-01 -0.88634E-01 712 0.360E+00 0.228E+01
DAV: 6 -0.926515048267E+02 0.86906E+01 -0.30851E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.917744812331E+02 0.87702E+00 -0.17341E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913948089374E+02 0.37967E+00 -0.55729E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913143939967E+02 0.80415E-01 -0.13132E-01 704 0.156E+00 0.423E-01
DAV: 10 -0.913060882680E+02 0.83057E-02 -0.45031E-02 776 0.111E+00 0.301E-01
DAV: 11 -0.913106905014E+02 -0.46022E-02 -0.12437E-02 608 0.583E-01 0.138E-01
DAV: 12 -0.913136877610E+02 -0.29973E-02 -0.27852E-03 619 0.252E-01 0.104E-01
DAV: 13 -0.913171171966E+02 -0.34294E-02 -0.11957E-03 637 0.183E-01 0.482E-02
DAV: 14 -0.913205156143E+02 -0.33984E-02 -0.82324E-04 680 0.174E-01 0.365E-02
DAV: 15 -0.913218050496E+02 -0.12894E-02 -0.16921E-04 688 0.850E-02 0.375E-02
DAV: 16 -0.913232248011E+02 -0.14198E-02 -0.41308E-04 636 0.110E-01 0.212E-02
DAV: 17 -0.913236416528E+02 -0.41685E-03 -0.77748E-05 752 0.648E-02 0.144E-02
DAV: 18 -0.913238557697E+02 -0.21412E-03 -0.39461E-05 626 0.312E-02 0.114E-02
DAV: 19 -0.913239809467E+02 -0.12518E-03 -0.16963E-05 461 0.205E-02 0.558E-03
DAV: 20 -0.913240167407E+02 -0.35794E-04 -0.69315E-06 464 0.167E-02 0.225E-03
DAV: 21 -0.913240388115E+02 -0.22071E-04 -0.54601E-06 420 0.122E-02 0.234E-03
DAV: 22 -0.913240478769E+02 -0.90654E-05 -0.14915E-06 442 0.520E-03
1 F= -.91324048E+02 E0= -.91328925E+02 d E =0.146300E-01