iterations/neb0_image01_iter207_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 0.365735250418E+03 0.36574E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322705064201E+01 -0.36251E+03 -0.34949E+03 839 0.196E+02
DAV: 3 -0.954362582588E+02 -0.98663E+02 -0.98319E+02 645 0.116E+02
DAV: 4 -0.100233370213E+03 -0.47971E+01 -0.47854E+01 704 0.297E+01
DAV: 5 -0.100329046241E+03 -0.95676E-01 -0.95626E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916950777913E+02 0.86340E+01 -0.30908E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908872022549E+02 0.80788E+00 -0.18315E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905112136267E+02 0.37599E+00 -0.55332E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904289744201E+02 0.82239E-01 -0.13290E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904244765298E+02 0.44979E-02 -0.47178E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904285497858E+02 -0.40733E-02 -0.78251E-03 608 0.569E-01 0.121E-01
DAV: 12 -0.904319482126E+02 -0.33984E-02 -0.65617E-03 629 0.449E-01 0.133E-01
DAV: 13 -0.904343659007E+02 -0.24177E-02 -0.16437E-03 861 0.311E-01 0.749E-02
DAV: 14 -0.904375494635E+02 -0.31836E-02 -0.14670E-03 642 0.193E-01 0.689E-02
DAV: 15 -0.904391620205E+02 -0.16126E-02 -0.29883E-04 680 0.112E-01 0.550E-02
DAV: 16 -0.904405470139E+02 -0.13850E-02 -0.10862E-03 669 0.203E-01 0.381E-02
DAV: 17 -0.904413603279E+02 -0.81331E-03 -0.14181E-04 661 0.815E-02 0.334E-02
DAV: 18 -0.904416882238E+02 -0.32790E-03 -0.86545E-05 672 0.464E-02 0.180E-02
DAV: 19 -0.904418635754E+02 -0.17535E-03 -0.93689E-05 639 0.539E-02 0.986E-03
DAV: 20 -0.904418919553E+02 -0.28380E-04 -0.83474E-06 512 0.196E-02 0.983E-03
DAV: 21 -0.904419299465E+02 -0.37991E-04 -0.75218E-06 398 0.152E-02 0.680E-03
DAV: 22 -0.904419397869E+02 -0.98404E-05 -0.54434E-06 480 0.171E-02
1 F= -.90441940E+02 E0= -.90447607E+02 d E =0.170020E-01