./iterations/neb0_image07_iter185_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 0.371629568894E+03 0.37163E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.333993649484E+01 -0.36829E+03 -0.35570E+03 869 0.194E+02
DAV: 3 -0.964805064819E+02 -0.99820E+02 -0.99499E+02 680 0.116E+02
DAV: 4 -0.101085691007E+03 -0.46052E+01 -0.45932E+01 696 0.283E+01
DAV: 5 -0.101180060709E+03 -0.94370E-01 -0.94307E-01 728 0.362E+00 0.227E+01
DAV: 6 -0.925758111242E+02 0.86042E+01 -0.30525E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917192737205E+02 0.85654E+00 -0.17332E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.913479555746E+02 0.37132E+00 -0.52832E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912665811186E+02 0.81374E-01 -0.13133E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912581466567E+02 0.84345E-02 -0.41758E-02 733 0.108E+00 0.294E-01
DAV: 11 -0.912624335776E+02 -0.42869E-02 -0.11981E-02 616 0.577E-01 0.142E-01
DAV: 12 -0.912651876458E+02 -0.27541E-02 -0.24101E-03 626 0.256E-01 0.916E-02
DAV: 13 -0.912691690867E+02 -0.39814E-02 -0.16734E-03 639 0.207E-01 0.523E-02
DAV: 14 -0.912716910004E+02 -0.25219E-02 -0.53627E-04 800 0.184E-01 0.359E-02
DAV: 15 -0.912737773839E+02 -0.20864E-02 -0.41331E-04 655 0.103E-01 0.320E-02
DAV: 16 -0.912747512396E+02 -0.97386E-03 -0.11895E-04 717 0.639E-02 0.137E-02
DAV: 17 -0.912756257972E+02 -0.87456E-03 -0.14419E-04 738 0.618E-02 0.154E-02
DAV: 18 -0.912758426999E+02 -0.21690E-03 -0.35067E-05 624 0.435E-02 0.660E-03
DAV: 19 -0.912759033345E+02 -0.60635E-04 -0.19325E-05 552 0.236E-02 0.698E-03
DAV: 20 -0.912759617470E+02 -0.58413E-04 -0.62114E-06 436 0.175E-02 0.310E-03
DAV: 21 -0.912759878010E+02 -0.26054E-04 -0.68691E-06 480 0.150E-02 0.238E-03
DAV: 22 -0.912759980585E+02 -0.10257E-04 -0.12402E-06 437 0.882E-03 0.108E-03
DAV: 23 -0.912760049220E+02 -0.68635E-05 -0.29107E-06 414 0.968E-03
1 F= -.91276005E+02 E0= -.91281442E+02 d E =0.163118E-01