./iterations/neb0_image09_iter42_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 0.374666837208E+03 0.37467E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.253939102314E+01 -0.37213E+03 -0.35970E+03 877 0.196E+02
DAV: 3 -0.967548646435E+02 -0.99294E+02 -0.98962E+02 664 0.117E+02
DAV: 4 -0.101242847090E+03 -0.44880E+01 -0.44787E+01 696 0.285E+01
DAV: 5 -0.101331640489E+03 -0.88793E-01 -0.88754E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926679941818E+02 0.86636E+01 -0.30839E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.917947918731E+02 0.87320E+00 -0.17151E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914168997055E+02 0.37789E+00 -0.54465E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913343325606E+02 0.82567E-01 -0.13102E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913254047215E+02 0.89278E-02 -0.45879E-02 784 0.112E+00 0.304E-01
DAV: 11 -0.913301420690E+02 -0.47373E-02 -0.14304E-02 610 0.626E-01 0.157E-01
DAV: 12 -0.913327483965E+02 -0.26063E-02 -0.27275E-03 634 0.241E-01 0.112E-01
DAV: 13 -0.913367030950E+02 -0.39547E-02 -0.21978E-03 658 0.241E-01 0.484E-02
DAV: 14 -0.913398792374E+02 -0.31761E-02 -0.59760E-04 664 0.155E-01 0.271E-02
DAV: 15 -0.913415523430E+02 -0.16731E-02 -0.19021E-04 672 0.712E-02 0.271E-02
DAV: 16 -0.913427039578E+02 -0.11516E-02 -0.19966E-04 685 0.805E-02 0.126E-02
DAV: 17 -0.913432164288E+02 -0.51247E-03 -0.45136E-05 661 0.341E-02 0.133E-02
DAV: 18 -0.913434066720E+02 -0.19024E-03 -0.30783E-05 544 0.329E-02 0.939E-03
DAV: 19 -0.913435318178E+02 -0.12515E-03 -0.20458E-05 450 0.235E-02 0.466E-03
DAV: 20 -0.913435479544E+02 -0.16137E-04 -0.48467E-06 504 0.118E-02 0.315E-03
DAV: 21 -0.913435685262E+02 -0.20572E-04 -0.61279E-06 398 0.167E-02 0.285E-03
DAV: 22 -0.913435773186E+02 -0.87924E-05 -0.20067E-06 461 0.788E-03
1 F= -.91343577E+02 E0= -.91348434E+02 d E =0.145711E-01