./iterations/neb0_image07_iter139_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 0.376162922546E+03 0.37616E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.398341265019E+01 -0.37218E+03 -0.35995E+03 874 0.196E+02
DAV: 3 -0.965255332227E+02 -0.10051E+03 -0.10016E+03 680 0.117E+02
DAV: 4 -0.101080457853E+03 -0.45549E+01 -0.45416E+01 712 0.283E+01
DAV: 5 -0.101170947738E+03 -0.90490E-01 -0.90450E-01 736 0.360E+00 0.227E+01
DAV: 6 -0.925538277673E+02 0.86171E+01 -0.30650E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.916901388204E+02 0.86369E+00 -0.16816E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913147027330E+02 0.37544E+00 -0.54247E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.912327870192E+02 0.81916E-01 -0.12903E-01 720 0.154E+00 0.424E-01
DAV: 10 -0.912238129487E+02 0.89741E-02 -0.44190E-02 728 0.109E+00 0.300E-01
DAV: 11 -0.912287251873E+02 -0.49122E-02 -0.14310E-02 605 0.620E-01 0.165E-01
DAV: 12 -0.912313179251E+02 -0.25927E-02 -0.26677E-03 642 0.233E-01 0.119E-01
DAV: 13 -0.912351777987E+02 -0.38599E-02 -0.22506E-03 637 0.262E-01 0.476E-02
DAV: 14 -0.912378396366E+02 -0.26618E-02 -0.41606E-04 680 0.117E-01 0.304E-02
DAV: 15 -0.912401894372E+02 -0.23498E-02 -0.23396E-04 645 0.660E-02 0.297E-02
DAV: 16 -0.912411951930E+02 -0.10058E-02 -0.21321E-04 680 0.698E-02 0.154E-02
DAV: 17 -0.912416624846E+02 -0.46729E-03 -0.37916E-05 589 0.288E-02 0.120E-02
DAV: 18 -0.912418691901E+02 -0.20671E-03 -0.26809E-05 552 0.219E-02 0.510E-03
DAV: 19 -0.912419190692E+02 -0.49879E-04 -0.69878E-06 480 0.158E-02 0.205E-03
DAV: 20 -0.912419492036E+02 -0.30134E-04 -0.44781E-06 415 0.103E-02 0.292E-03
DAV: 21 -0.912419564704E+02 -0.72668E-05 -0.11637E-06 464 0.553E-03
1 F= -.91241956E+02 E0= -.91246749E+02 d E =0.143782E-01