iterations/neb0_image07_iter67_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 0.378639687068E+03 0.37864E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.442093441169E+01 -0.37422E+03 -0.36090E+03 869 0.196E+02
DAV: 3 -0.964376516996E+02 -0.10086E+03 -0.10053E+03 672 0.117E+02
DAV: 4 -0.100917459938E+03 -0.44798E+01 -0.44693E+01 704 0.284E+01
DAV: 5 -0.101005227133E+03 -0.87767E-01 -0.87730E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923426333038E+02 0.86626E+01 -0.30675E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.914526118137E+02 0.89002E+00 -0.16765E+00 736 0.615E+00 0.483E+00
DAV: 8 -0.910661913947E+02 0.38642E+00 -0.56710E-01 696 0.411E+00 0.163E+00
DAV: 9 -0.909812048525E+02 0.84987E-01 -0.13286E-01 712 0.156E+00 0.430E-01
DAV: 10 -0.909711729435E+02 0.10032E-01 -0.49230E-02 736 0.114E+00 0.315E-01
DAV: 11 -0.909756306223E+02 -0.44577E-02 -0.12923E-02 613 0.602E-01 0.142E-01
DAV: 12 -0.909787450254E+02 -0.31144E-02 -0.36725E-03 616 0.278E-01 0.146E-01
DAV: 13 -0.909825590341E+02 -0.38140E-02 -0.27112E-03 725 0.322E-01 0.556E-02
DAV: 14 -0.909850153781E+02 -0.24563E-02 -0.57516E-04 664 0.114E-01 0.558E-02
DAV: 15 -0.909878350220E+02 -0.28196E-02 -0.33386E-04 634 0.863E-02 0.346E-02
DAV: 16 -0.909890122556E+02 -0.11772E-02 -0.39151E-04 677 0.985E-02 0.274E-02
DAV: 17 -0.909895913462E+02 -0.57909E-03 -0.10435E-04 653 0.587E-02 0.109E-02
DAV: 18 -0.909897714620E+02 -0.18012E-03 -0.25333E-05 600 0.234E-02 0.614E-03
DAV: 19 -0.909898245887E+02 -0.53127E-04 -0.56881E-06 472 0.151E-02 0.221E-03
DAV: 20 -0.909898717961E+02 -0.47207E-04 -0.56015E-06 420 0.982E-03 0.230E-03
DAV: 21 -0.909898815479E+02 -0.97518E-05 -0.11674E-06 496 0.487E-03
1 F= -.90989882E+02 E0= -.90994929E+02 d E =0.151417E-01