iterations/neb0_image04_iter255_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 0.366348906162E+03 0.36635E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.823406746493E+00 -0.36553E+03 -0.35434E+03 855 0.195E+02
DAV: 3 -0.959348779151E+02 -0.96758E+02 -0.96462E+02 656 0.116E+02
DAV: 4 -0.100298205014E+03 -0.43633E+01 -0.43544E+01 696 0.281E+01
DAV: 5 -0.100384961570E+03 -0.86757E-01 -0.86729E-01 728 0.353E+00 0.223E+01
DAV: 6 -0.916816032458E+02 0.87034E+01 -0.31213E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908324891453E+02 0.84911E+00 -0.18165E+00 712 0.661E+00 0.485E+00
DAV: 8 -0.904217388887E+02 0.41075E+00 -0.54417E-01 704 0.453E+00 0.179E+00
DAV: 9 -0.903302555797E+02 0.91483E-01 -0.15747E-01 720 0.208E+00 0.571E-01
DAV: 10 -0.903159771075E+02 0.14278E-01 -0.36809E-02 712 0.102E+00 0.349E-01
DAV: 11 -0.903177086123E+02 -0.17315E-02 -0.12758E-02 712 0.568E-01 0.217E-01
DAV: 12 -0.903209184735E+02 -0.32099E-02 -0.33520E-03 621 0.413E-01 0.127E-01
DAV: 13 -0.903240616806E+02 -0.31432E-02 -0.17178E-03 645 0.294E-01 0.111E-01
DAV: 14 -0.903276917734E+02 -0.36301E-02 -0.23761E-03 772 0.315E-01 0.624E-02
DAV: 15 -0.903295847578E+02 -0.18930E-02 -0.41452E-04 680 0.122E-01 0.463E-02
DAV: 16 -0.903320448477E+02 -0.24601E-02 -0.80371E-04 740 0.181E-01 0.334E-02
DAV: 17 -0.903329933917E+02 -0.94854E-03 -0.13667E-04 680 0.671E-02 0.288E-02
DAV: 18 -0.903335812915E+02 -0.58790E-03 -0.11996E-04 713 0.661E-02 0.105E-02
DAV: 19 -0.903340433176E+02 -0.46203E-03 -0.83665E-05 658 0.488E-02 0.994E-03
DAV: 20 -0.903341197580E+02 -0.76440E-04 -0.62325E-06 512 0.150E-02 0.776E-03
DAV: 21 -0.903341889367E+02 -0.69179E-04 -0.14611E-05 457 0.233E-02 0.402E-03
DAV: 22 -0.903342281596E+02 -0.39223E-04 -0.62088E-06 458 0.129E-02 0.262E-03
DAV: 23 -0.903342325150E+02 -0.43554E-05 -0.19018E-06 544 0.784E-03
1 F= -.90334233E+02 E0= -.90342479E+02 d E =0.247402E-01