iterations/neb0_image09_iter34_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 0.374852575930E+03 0.37485E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.261704699505E+01 -0.37224E+03 -0.35976E+03 877 0.196E+02
DAV: 3 -0.966591742263E+02 -0.99276E+02 -0.98946E+02 656 0.117E+02
DAV: 4 -0.101206376035E+03 -0.45472E+01 -0.45379E+01 688 0.289E+01
DAV: 5 -0.101296394479E+03 -0.90018E-01 -0.89977E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926429574689E+02 0.86534E+01 -0.30844E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.917763640024E+02 0.86659E+00 -0.17038E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914019200627E+02 0.37444E+00 -0.54270E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913184417789E+02 0.83478E-01 -0.13099E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913094508240E+02 0.89910E-02 -0.42659E-02 776 0.107E+00 0.296E-01
DAV: 11 -0.913140016974E+02 -0.45509E-02 -0.12183E-02 608 0.575E-01 0.145E-01
DAV: 12 -0.913168816352E+02 -0.28799E-02 -0.25829E-03 631 0.245E-01 0.100E-01
DAV: 13 -0.913206793890E+02 -0.37978E-02 -0.13707E-03 653 0.187E-01 0.476E-02
DAV: 14 -0.913241601855E+02 -0.34808E-02 -0.72408E-04 669 0.175E-01 0.327E-02
DAV: 15 -0.913254506749E+02 -0.12905E-02 -0.16731E-04 680 0.816E-02 0.312E-02
DAV: 16 -0.913267098136E+02 -0.12591E-02 -0.24704E-04 663 0.897E-02 0.161E-02
DAV: 17 -0.913272901911E+02 -0.58038E-03 -0.64340E-05 677 0.486E-02 0.129E-02
DAV: 18 -0.913275690276E+02 -0.27884E-03 -0.54393E-05 637 0.378E-02 0.105E-02
DAV: 19 -0.913276485994E+02 -0.79572E-04 -0.13865E-05 496 0.213E-02 0.492E-03
DAV: 20 -0.913276765925E+02 -0.27993E-04 -0.50210E-06 440 0.126E-02 0.266E-03
DAV: 21 -0.913277022339E+02 -0.25641E-04 -0.69735E-06 417 0.156E-02 0.279E-03
DAV: 22 -0.913277068026E+02 -0.45687E-05 -0.14017E-06 488 0.709E-03
1 F= -.91327707E+02 E0= -.91332562E+02 d E =0.145670E-01