./iterations/neb0_image02_iter95_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 0.365014543378E+03 0.36501E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.411825961673E+01 -0.36090E+03 -0.34621E+03 834 0.194E+02
DAV: 3 -0.955031252497E+02 -0.99621E+02 -0.99289E+02 669 0.116E+02
DAV: 4 -0.100179885393E+03 -0.46768E+01 -0.46658E+01 704 0.286E+01
DAV: 5 -0.100272207987E+03 -0.92323E-01 -0.92278E-01 728 0.359E+00 0.222E+01
DAV: 6 -0.916557099555E+02 0.86165E+01 -0.30940E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908367682153E+02 0.81894E+00 -0.18360E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904512325369E+02 0.38554E+00 -0.55450E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903606428937E+02 0.90590E-01 -0.13945E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903542130307E+02 0.64299E-02 -0.47365E-02 704 0.127E+00 0.322E-01
DAV: 11 -0.903579609043E+02 -0.37479E-02 -0.73809E-03 616 0.493E-01 0.143E-01
DAV: 12 -0.903613140777E+02 -0.33532E-02 -0.69336E-03 607 0.456E-01 0.129E-01
DAV: 13 -0.903640635960E+02 -0.27495E-02 -0.14318E-03 960 0.323E-01 0.791E-02
DAV: 14 -0.903671594547E+02 -0.30959E-02 -0.13514E-03 634 0.177E-01 0.566E-02
DAV: 15 -0.903694674066E+02 -0.23080E-02 -0.39587E-04 688 0.113E-01 0.425E-02
DAV: 16 -0.903708225931E+02 -0.13552E-02 -0.60919E-04 653 0.139E-01 0.316E-02
DAV: 17 -0.903717196124E+02 -0.89702E-03 -0.16603E-04 794 0.868E-02 0.191E-02
DAV: 18 -0.903718506685E+02 -0.13106E-03 -0.37565E-05 712 0.327E-02 0.106E-02
DAV: 19 -0.903720785322E+02 -0.22786E-03 -0.36944E-05 564 0.298E-02 0.356E-03
DAV: 20 -0.903721238771E+02 -0.45345E-04 -0.35118E-06 480 0.994E-03 0.400E-03
DAV: 21 -0.903721747112E+02 -0.50834E-04 -0.66329E-06 417 0.148E-02 0.327E-03
DAV: 22 -0.903721888796E+02 -0.14168E-04 -0.37672E-06 477 0.941E-03 0.290E-03
DAV: 23 -0.903721904318E+02 -0.15522E-05 -0.15882E-06 544 0.798E-03
1 F= -.90372190E+02 E0= -.90377635E+02 d E =0.163350E-01