iterations/neb0_image04_iter274_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 0.367315400813E+03 0.36732E+03 -0.14315E+04 624 0.799E+02
DAV: 2 0.504930167425E+00 -0.36681E+03 -0.35585E+03 858 0.195E+02
DAV: 3 -0.962281833150E+02 -0.96733E+02 -0.96449E+02 661 0.116E+02
DAV: 4 -0.100438422598E+03 -0.42102E+01 -0.42012E+01 696 0.276E+01
DAV: 5 -0.100520057115E+03 -0.81635E-01 -0.81604E-01 736 0.343E+00 0.225E+01
DAV: 6 -0.917085362070E+02 0.88115E+01 -0.31492E+01 677 0.300E+01 0.118E+01
DAV: 7 -0.908360808708E+02 0.87246E+00 -0.18325E+00 720 0.660E+00 0.487E+00
DAV: 8 -0.904219914786E+02 0.41409E+00 -0.54581E-01 704 0.462E+00 0.181E+00
DAV: 9 -0.903314442056E+02 0.90547E-01 -0.16211E-01 712 0.217E+00 0.591E-01
DAV: 10 -0.903163723203E+02 0.15072E-01 -0.36634E-02 712 0.103E+00 0.354E-01
DAV: 11 -0.903180393820E+02 -0.16671E-02 -0.14550E-02 664 0.614E-01 0.239E-01
DAV: 12 -0.903210203794E+02 -0.29810E-02 -0.31799E-03 656 0.456E-01 0.140E-01
DAV: 13 -0.903242100820E+02 -0.31897E-02 -0.27147E-03 634 0.362E-01 0.119E-01
DAV: 14 -0.903271683135E+02 -0.29582E-02 -0.20694E-03 751 0.305E-01 0.570E-02
DAV: 15 -0.903298980799E+02 -0.27298E-02 -0.69113E-04 645 0.130E-01 0.475E-02
DAV: 16 -0.903323151834E+02 -0.24171E-02 -0.57397E-04 812 0.170E-01 0.304E-02
DAV: 17 -0.903333973147E+02 -0.10821E-02 -0.19417E-04 661 0.697E-02 0.294E-02
DAV: 18 -0.903339289750E+02 -0.53166E-03 -0.68594E-05 687 0.576E-02 0.146E-02
DAV: 19 -0.903343476818E+02 -0.41871E-03 -0.13218E-04 649 0.676E-02 0.141E-02
DAV: 20 -0.903344397267E+02 -0.92045E-04 -0.13718E-05 504 0.311E-02 0.819E-03
DAV: 21 -0.903345122895E+02 -0.72563E-04 -0.36412E-05 545 0.333E-02 0.632E-03
DAV: 22 -0.903345386189E+02 -0.26329E-04 -0.43415E-06 480 0.167E-02 0.325E-03
DAV: 23 -0.903345478116E+02 -0.91927E-05 -0.53036E-06 490 0.129E-02
1 F= -.90334548E+02 E0= -.90342809E+02 d E =0.247829E-01