iterations/neb0_image08_iter98_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 0.375361036644E+03 0.37536E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.352623902078E+01 -0.37183E+03 -0.35868E+03 869 0.196E+02
DAV: 3 -0.967367279078E+02 -0.10026E+03 -0.99922E+02 688 0.117E+02
DAV: 4 -0.101123005051E+03 -0.43863E+01 -0.43760E+01 696 0.275E+01
DAV: 5 -0.101210158900E+03 -0.87154E-01 -0.87117E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.925981528348E+02 0.86120E+01 -0.30771E+01 693 0.301E+01 0.119E+01
DAV: 7 -0.917311368841E+02 0.86702E+00 -0.16831E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913513137459E+02 0.37982E+00 -0.56080E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912692736320E+02 0.82040E-01 -0.12942E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912600449487E+02 0.92287E-02 -0.46511E-02 728 0.112E+00 0.306E-01
DAV: 11 -0.912647083784E+02 -0.46634E-02 -0.13713E-02 616 0.605E-01 0.155E-01
DAV: 12 -0.912675763830E+02 -0.28680E-02 -0.29890E-03 615 0.251E-01 0.120E-01
DAV: 13 -0.912711491218E+02 -0.35727E-02 -0.15288E-03 693 0.221E-01 0.463E-02
DAV: 14 -0.912743017100E+02 -0.31526E-02 -0.65684E-04 656 0.140E-01 0.369E-02
DAV: 15 -0.912761298495E+02 -0.18281E-02 -0.18739E-04 664 0.782E-02 0.407E-02
DAV: 16 -0.912774126393E+02 -0.12828E-02 -0.36177E-04 669 0.959E-02 0.179E-02
DAV: 17 -0.912778147304E+02 -0.40209E-03 -0.62604E-05 664 0.548E-02 0.147E-02
DAV: 18 -0.912780754233E+02 -0.26069E-03 -0.47485E-05 575 0.334E-02 0.126E-02
DAV: 19 -0.912781555075E+02 -0.80084E-04 -0.10873E-05 456 0.208E-02 0.606E-03
DAV: 20 -0.912781874378E+02 -0.31930E-04 -0.12876E-05 480 0.229E-02 0.239E-03
DAV: 21 -0.912782129553E+02 -0.25517E-04 -0.43343E-06 418 0.988E-03 0.317E-03
DAV: 22 -0.912782183658E+02 -0.54105E-05 -0.81346E-07 480 0.515E-03
1 F= -.91278218E+02 E0= -.91283175E+02 d E =0.148688E-01