./iterations/neb0_image08_iter202_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 0.373564288020E+03 0.37356E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.352582047379E+01 -0.37004E+03 -0.35765E+03 869 0.196E+02
DAV: 3 -0.966984902867E+02 -0.10022E+03 -0.99917E+02 669 0.117E+02
DAV: 4 -0.101241481967E+03 -0.45430E+01 -0.45303E+01 720 0.287E+01
DAV: 5 -0.101329957957E+03 -0.88476E-01 -0.88422E-01 720 0.363E+00 0.227E+01
DAV: 6 -0.926481086243E+02 0.86818E+01 -0.31056E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917895660462E+02 0.85854E+00 -0.17388E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914156055222E+02 0.37396E+00 -0.53726E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913346638792E+02 0.80942E-01 -0.13240E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913267038076E+02 0.79601E-02 -0.45032E-02 768 0.108E+00 0.302E-01
DAV: 11 -0.913315279661E+02 -0.48242E-02 -0.13737E-02 616 0.614E-01 0.148E-01
DAV: 12 -0.913343441533E+02 -0.28162E-02 -0.27861E-03 625 0.240E-01 0.106E-01
DAV: 13 -0.913379489241E+02 -0.36048E-02 -0.20043E-03 634 0.231E-01 0.477E-02
DAV: 14 -0.913414525858E+02 -0.35037E-02 -0.89977E-04 669 0.186E-01 0.347E-02
DAV: 15 -0.913423873641E+02 -0.93478E-03 -0.20406E-04 704 0.885E-02 0.272E-02
DAV: 16 -0.913433367008E+02 -0.94934E-03 -0.20224E-04 698 0.872E-02 0.130E-02
DAV: 17 -0.913440203970E+02 -0.68370E-03 -0.62356E-05 653 0.379E-02 0.143E-02
DAV: 18 -0.913442525582E+02 -0.23216E-03 -0.29099E-05 592 0.278E-02 0.823E-03
DAV: 19 -0.913443825654E+02 -0.13001E-03 -0.29156E-05 530 0.279E-02 0.530E-03
DAV: 20 -0.913443967040E+02 -0.14139E-04 -0.24862E-06 520 0.112E-02 0.363E-03
DAV: 21 -0.913444163870E+02 -0.19683E-04 -0.82630E-06 398 0.179E-02 0.306E-03
DAV: 22 -0.913444187895E+02 -0.24025E-05 -0.12414E-06 504 0.908E-03
1 F= -.91344419E+02 E0= -.91349561E+02 d E =0.154265E-01