./iterations/neb0_image02_iter184_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 0.366719644067E+03 0.36672E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.178227200550E+01 -0.36494E+03 -0.35361E+03 861 0.195E+02
DAV: 3 -0.958547167686E+02 -0.97637E+02 -0.97304E+02 664 0.116E+02
DAV: 4 -0.100231515371E+03 -0.43768E+01 -0.43670E+01 720 0.282E+01
DAV: 5 -0.100315894156E+03 -0.84379E-01 -0.84353E-01 752 0.353E+00 0.222E+01
DAV: 6 -0.916723698125E+02 0.86435E+01 -0.31114E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908610616451E+02 0.81131E+00 -0.18380E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904800630064E+02 0.38100E+00 -0.55283E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903927489054E+02 0.87314E-01 -0.13751E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903872300918E+02 0.55188E-02 -0.50416E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903907552754E+02 -0.35252E-02 -0.78018E-03 616 0.576E-01 0.128E-01
DAV: 12 -0.903939362795E+02 -0.31810E-02 -0.75494E-03 648 0.454E-01 0.140E-01
DAV: 13 -0.903963651451E+02 -0.24289E-02 -0.20423E-03 880 0.356E-01 0.819E-02
DAV: 14 -0.903995836293E+02 -0.32185E-02 -0.14642E-03 631 0.181E-01 0.709E-02
DAV: 15 -0.904014598252E+02 -0.18762E-02 -0.33070E-04 672 0.104E-01 0.555E-02
DAV: 16 -0.904029673042E+02 -0.15075E-02 -0.10905E-03 669 0.196E-01 0.393E-02
DAV: 17 -0.904036974406E+02 -0.73014E-03 -0.14589E-04 680 0.832E-02 0.298E-02
DAV: 18 -0.904040252139E+02 -0.32777E-03 -0.10570E-04 664 0.497E-02 0.109E-02
DAV: 19 -0.904041931571E+02 -0.16794E-03 -0.46355E-05 653 0.346E-02 0.774E-03
DAV: 20 -0.904042211176E+02 -0.27961E-04 -0.41586E-06 520 0.153E-02 0.641E-03
DAV: 21 -0.904042670497E+02 -0.45932E-04 -0.84240E-06 417 0.147E-02 0.424E-03
DAV: 22 -0.904042772360E+02 -0.10186E-04 -0.49086E-06 480 0.135E-02 0.249E-03
DAV: 23 -0.904042788194E+02 -0.15834E-05 -0.17198E-06 536 0.831E-03
1 F= -.90404279E+02 E0= -.90410707E+02 d E =0.192855E-01