iterations/neb0_image03_iter61_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 0.368067033254E+03 0.36807E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.394552275218E+01 -0.36412E+03 -0.35088E+03 845 0.195E+02
DAV: 3 -0.953895815429E+02 -0.99335E+02 -0.99006E+02 656 0.116E+02
DAV: 4 -0.100104257873E+03 -0.47147E+01 -0.47046E+01 712 0.294E+01
DAV: 5 -0.100196054390E+03 -0.91797E-01 -0.91758E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915722182441E+02 0.86238E+01 -0.30767E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907275463685E+02 0.84467E+00 -0.18699E+00 712 0.642E+00 0.483E+00
DAV: 8 -0.903236410716E+02 0.40391E+00 -0.56532E-01 696 0.432E+00 0.166E+00
DAV: 9 -0.902270561499E+02 0.96585E-01 -0.14281E-01 704 0.173E+00 0.438E-01
DAV: 10 -0.902187929475E+02 0.82632E-02 -0.48030E-02 704 0.121E+00 0.331E-01
DAV: 11 -0.902222727003E+02 -0.34798E-02 -0.72053E-03 608 0.517E-01 0.127E-01
DAV: 12 -0.902254584913E+02 -0.31858E-02 -0.62469E-03 628 0.381E-01 0.133E-01
DAV: 13 -0.902287578261E+02 -0.32993E-02 -0.19284E-03 848 0.373E-01 0.810E-02
DAV: 14 -0.902321181615E+02 -0.33603E-02 -0.12040E-03 634 0.163E-01 0.601E-02
DAV: 15 -0.902343310322E+02 -0.22129E-02 -0.34208E-04 720 0.105E-01 0.345E-02
DAV: 16 -0.902362051767E+02 -0.18741E-02 -0.56049E-04 672 0.137E-01 0.327E-02
DAV: 17 -0.902370137430E+02 -0.80857E-03 -0.14161E-04 704 0.687E-02 0.222E-02
DAV: 18 -0.902373593937E+02 -0.34565E-03 -0.10638E-04 656 0.622E-02 0.985E-03
DAV: 19 -0.902375328045E+02 -0.17341E-03 -0.15476E-05 474 0.252E-02 0.707E-03
DAV: 20 -0.902376169838E+02 -0.84179E-04 -0.20574E-05 520 0.255E-02 0.541E-03
DAV: 21 -0.902376711934E+02 -0.54210E-04 -0.82434E-06 437 0.174E-02 0.252E-03
DAV: 22 -0.902376826132E+02 -0.11420E-04 -0.41102E-06 496 0.104E-02 0.245E-03
DAV: 23 -0.902376862061E+02 -0.35929E-05 -0.87437E-07 432 0.561E-03
1 F= -.90237686E+02 E0= -.90246563E+02 d E =0.266293E-01