iterations/neb0_image02_iter292_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 0.366133859874E+03 0.36613E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.110273849857E+01 -0.36503E+03 -0.35335E+03 869 0.196E+02
DAV: 3 -0.956049412867E+02 -0.96708E+02 -0.96375E+02 632 0.115E+02
DAV: 4 -0.100281711238E+03 -0.46768E+01 -0.46660E+01 704 0.296E+01
DAV: 5 -0.100374197290E+03 -0.92486E-01 -0.92449E-01 720 0.375E+00 0.223E+01
DAV: 6 -0.916780790479E+02 0.86961E+01 -0.30919E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908459562598E+02 0.83212E+00 -0.18140E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904661123179E+02 0.37984E+00 -0.55268E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903830712000E+02 0.83041E-01 -0.13455E-01 720 0.167E+00 0.426E-01
DAV: 10 -0.903791368537E+02 0.39343E-02 -0.47979E-02 720 0.126E+00 0.324E-01
DAV: 11 -0.903829453353E+02 -0.38085E-02 -0.78057E-03 624 0.574E-01 0.119E-01
DAV: 12 -0.903862287815E+02 -0.32834E-02 -0.68654E-03 640 0.440E-01 0.138E-01
DAV: 13 -0.903885119779E+02 -0.22832E-02 -0.20466E-03 872 0.337E-01 0.769E-02
DAV: 14 -0.903916256328E+02 -0.31137E-02 -0.13485E-03 615 0.181E-01 0.704E-02
DAV: 15 -0.903931834993E+02 -0.15579E-02 -0.25916E-04 688 0.974E-02 0.565E-02
DAV: 16 -0.903945840627E+02 -0.14006E-02 -0.99356E-04 648 0.191E-01 0.337E-02
DAV: 17 -0.903952549151E+02 -0.67085E-03 -0.11206E-04 688 0.669E-02 0.325E-02
DAV: 18 -0.903955981046E+02 -0.34319E-03 -0.91521E-05 650 0.495E-02 0.162E-02
DAV: 19 -0.903957390179E+02 -0.14091E-03 -0.70393E-05 664 0.452E-02 0.867E-03
DAV: 20 -0.903957751746E+02 -0.36157E-04 -0.44140E-06 488 0.137E-02 0.765E-03
DAV: 21 -0.903958122339E+02 -0.37059E-04 -0.10308E-05 418 0.187E-02 0.301E-03
DAV: 22 -0.903958165378E+02 -0.43038E-05 -0.43888E-06 504 0.126E-02
1 F= -.90395817E+02 E0= -.90401076E+02 d E =0.157791E-01