./iterations/neb0_image05_iter109_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 0.372768244844E+03 0.37277E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.367679762131E+01 -0.36909E+03 -0.35680E+03 882 0.194E+02
DAV: 3 -0.941887709060E+02 -0.97866E+02 -0.97507E+02 637 0.116E+02
DAV: 4 -0.987971418951E+02 -0.46084E+01 -0.45964E+01 704 0.297E+01
DAV: 5 -0.988954366541E+02 -0.98295E-01 -0.98241E-01 720 0.385E+00 0.219E+01
DAV: 6 -0.905514214635E+02 0.83440E+01 -0.28686E+01 674 0.289E+01 0.112E+01
DAV: 7 -0.896748328738E+02 0.87659E+00 -0.18008E+00 736 0.668E+00 0.469E+00
DAV: 8 -0.892849207625E+02 0.38991E+00 -0.62287E-01 704 0.447E+00 0.157E+00
DAV: 9 -0.892024414639E+02 0.82479E-01 -0.12555E-01 728 0.167E+00 0.448E-01
DAV: 10 -0.891908385643E+02 0.11603E-01 -0.50456E-02 736 0.121E+00 0.342E-01
DAV: 11 -0.891925277344E+02 -0.16892E-02 -0.12043E-02 656 0.634E-01 0.124E-01
DAV: 12 -0.891942087664E+02 -0.16810E-02 -0.33389E-03 677 0.317E-01 0.126E-01
DAV: 13 -0.891999042594E+02 -0.56955E-02 -0.29783E-03 671 0.371E-01 0.730E-02
DAV: 14 -0.892025679666E+02 -0.26637E-02 -0.85213E-04 696 0.150E-01 0.547E-02
DAV: 15 -0.892055572523E+02 -0.29893E-02 -0.10107E-03 623 0.187E-01 0.361E-02
DAV: 16 -0.892065952226E+02 -0.10380E-02 -0.12860E-04 720 0.735E-02 0.244E-02
DAV: 17 -0.892076996759E+02 -0.11045E-02 -0.20284E-04 625 0.718E-02 0.104E-02
DAV: 18 -0.892081904516E+02 -0.49078E-03 -0.46455E-05 605 0.368E-02 0.637E-03
DAV: 19 -0.892083253094E+02 -0.13486E-03 -0.11546E-05 504 0.182E-02 0.364E-03
DAV: 20 -0.892084270223E+02 -0.10171E-03 -0.18427E-05 467 0.208E-02 0.472E-03
DAV: 21 -0.892084478934E+02 -0.20871E-04 -0.29025E-06 488 0.998E-03 0.330E-03
DAV: 22 -0.892084549946E+02 -0.71012E-05 -0.39097E-06 448 0.115E-02
1 F= -.89208455E+02 E0= -.89212339E+02 d E =0.116534E-01