iterations/neb0_image09_iter240_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 0.374156144893E+03 0.37416E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331639618378E+01 -0.37084E+03 -0.35823E+03 869 0.196E+02
DAV: 3 -0.967449415000E+02 -0.10006E+03 -0.99732E+02 661 0.117E+02
DAV: 4 -0.101274166481E+03 -0.45292E+01 -0.45186E+01 720 0.287E+01
DAV: 5 -0.101362941358E+03 -0.88775E-01 -0.88735E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926817175379E+02 0.86812E+01 -0.30989E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918110196109E+02 0.87070E+00 -0.17151E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914350964998E+02 0.37592E+00 -0.54426E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913543702387E+02 0.80726E-01 -0.13234E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913462972247E+02 0.80730E-02 -0.43709E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913506452895E+02 -0.43481E-02 -0.11712E-02 608 0.563E-01 0.132E-01
DAV: 12 -0.913539014303E+02 -0.32561E-02 -0.28076E-03 623 0.243E-01 0.105E-01
DAV: 13 -0.913573546209E+02 -0.34532E-02 -0.12011E-03 669 0.186E-01 0.436E-02
DAV: 14 -0.913607635898E+02 -0.34090E-02 -0.76445E-04 656 0.157E-01 0.367E-02
DAV: 15 -0.913618818468E+02 -0.11183E-02 -0.13098E-04 768 0.825E-02 0.329E-02
DAV: 16 -0.913633467377E+02 -0.14649E-02 -0.31742E-04 642 0.893E-02 0.160E-02
DAV: 17 -0.913637993807E+02 -0.45264E-03 -0.57712E-05 680 0.500E-02 0.126E-02
DAV: 18 -0.913640542399E+02 -0.25486E-03 -0.43418E-05 565 0.300E-02 0.828E-03
DAV: 19 -0.913641135505E+02 -0.59311E-04 -0.71923E-06 496 0.143E-02 0.442E-03
DAV: 20 -0.913641446224E+02 -0.31072E-04 -0.58833E-06 432 0.155E-02 0.174E-03
DAV: 21 -0.913641613251E+02 -0.16703E-04 -0.36137E-06 445 0.911E-03 0.258E-03
DAV: 22 -0.913641641145E+02 -0.27894E-05 -0.61779E-07 496 0.440E-03
1 F= -.91364164E+02 E0= -.91368981E+02 d E =0.144492E-01