iterations/neb0_image06_iter14_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 0.361021094856E+03 0.36102E+03 -0.14177E+04 624 0.799E+02
DAV: 2 0.403891197027E+01 -0.35698E+03 -0.34402E+03 877 0.192E+02
DAV: 3 -0.930556861521E+02 -0.97095E+02 -0.96567E+02 680 0.114E+02
DAV: 4 -0.976952569680E+02 -0.46396E+01 -0.46209E+01 712 0.280E+01
DAV: 5 -0.977952868421E+02 -0.10003E+00 -0.99986E-01 712 0.363E+00 0.214E+01
DAV: 6 -0.893394365391E+02 0.84559E+01 -0.32206E+01 677 0.314E+01 0.111E+01
DAV: 7 -0.886266883311E+02 0.71275E+00 -0.16618E+00 728 0.721E+00 0.486E+00
DAV: 8 -0.882556689333E+02 0.37102E+00 -0.68284E-01 704 0.461E+00 0.174E+00
DAV: 9 -0.881656000076E+02 0.90069E-01 -0.16139E-01 741 0.207E+00 0.563E-01
DAV: 10 -0.881553937437E+02 0.10206E-01 -0.19211E-02 752 0.775E-01 0.310E-01
DAV: 11 -0.881544336797E+02 0.96006E-03 -0.15172E-02 680 0.745E-01 0.183E-01
DAV: 12 -0.881568772913E+02 -0.24436E-02 -0.42403E-03 666 0.403E-01 0.108E-01
DAV: 13 -0.881607290499E+02 -0.38518E-02 -0.23579E-03 626 0.261E-01 0.927E-02
DAV: 14 -0.881642917795E+02 -0.35627E-02 -0.10243E-03 631 0.182E-01 0.503E-02
DAV: 15 -0.881669279748E+02 -0.26362E-02 -0.88012E-04 704 0.196E-01 0.447E-02
DAV: 16 -0.881680323516E+02 -0.11044E-02 -0.30615E-04 680 0.112E-01 0.381E-02
DAV: 17 -0.881688710708E+02 -0.83872E-03 -0.36930E-04 690 0.124E-01 0.255E-02
DAV: 18 -0.881694975044E+02 -0.62643E-03 -0.13632E-04 749 0.718E-02 0.131E-02
DAV: 19 -0.881697653308E+02 -0.26783E-03 -0.32233E-05 597 0.288E-02 0.796E-03
DAV: 20 -0.881699052412E+02 -0.13991E-03 -0.34298E-05 533 0.321E-02 0.611E-03
DAV: 21 -0.881699531398E+02 -0.47899E-04 -0.56298E-06 477 0.180E-02 0.261E-03
DAV: 22 -0.881699694117E+02 -0.16272E-04 -0.56532E-06 407 0.107E-02 0.163E-03
DAV: 23 -0.881699738424E+02 -0.44307E-05 -0.82833E-07 488 0.449E-03
1 F= -.88169974E+02 E0= -.88174528E+02 d E =0.136617E-01