./iterations/neb0_image04_iter102_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 0.370176150401E+03 0.37018E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.384764464831E+01 -0.36633E+03 -0.35430E+03 858 0.195E+02
DAV: 3 -0.952655083128E+02 -0.99113E+02 -0.98792E+02 661 0.116E+02
DAV: 4 -0.998133267021E+02 -0.45478E+01 -0.45372E+01 696 0.289E+01
DAV: 5 -0.999025464517E+02 -0.89220E-01 -0.89179E-01 720 0.366E+00 0.221E+01
DAV: 6 -0.914125753717E+02 0.84900E+01 -0.29936E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905607199653E+02 0.85186E+00 -0.17231E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901628364021E+02 0.39788E+00 -0.55719E-01 728 0.422E+00 0.164E+00
DAV: 9 -0.900684660283E+02 0.94370E-01 -0.13194E-01 720 0.175E+00 0.437E-01
DAV: 10 -0.900590978033E+02 0.93682E-02 -0.59564E-02 712 0.139E+00 0.354E-01
DAV: 11 -0.900631991819E+02 -0.41014E-02 -0.14270E-02 616 0.710E-01 0.141E-01
DAV: 12 -0.900652522888E+02 -0.20531E-02 -0.51582E-03 650 0.323E-01 0.140E-01
DAV: 13 -0.900685735737E+02 -0.33213E-02 -0.20796E-03 837 0.362E-01 0.774E-02
DAV: 14 -0.900723682179E+02 -0.37946E-02 -0.14363E-03 658 0.188E-01 0.654E-02
DAV: 15 -0.900747440940E+02 -0.23759E-02 -0.32343E-04 730 0.111E-01 0.424E-02
DAV: 16 -0.900763866732E+02 -0.16426E-02 -0.67597E-04 677 0.145E-01 0.328E-02
DAV: 17 -0.900773577360E+02 -0.97106E-03 -0.21915E-04 847 0.100E-01 0.142E-02
DAV: 18 -0.900776867432E+02 -0.32901E-03 -0.50434E-05 605 0.347E-02 0.811E-03
DAV: 19 -0.900778551639E+02 -0.16842E-03 -0.25696E-05 506 0.223E-02 0.356E-03
DAV: 20 -0.900779059792E+02 -0.50815E-04 -0.49079E-06 468 0.102E-02 0.318E-03
DAV: 21 -0.900779198815E+02 -0.13902E-04 -0.22278E-06 456 0.629E-03 0.138E-03
DAV: 22 -0.900779237714E+02 -0.38899E-05 -0.12041E-06 474 0.550E-03
1 F= -.90077924E+02 E0= -.90082038E+02 d E =0.123433E-01