./iterations/neb0_image09_iter179_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 0.374048808076E+03 0.37405E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.321982491014E+01 -0.37083E+03 -0.35809E+03 869 0.196E+02
DAV: 3 -0.966295107828E+02 -0.99849E+02 -0.99516E+02 653 0.117E+02
DAV: 4 -0.101247196808E+03 -0.46177E+01 -0.46070E+01 720 0.291E+01
DAV: 5 -0.101338413621E+03 -0.91217E-01 -0.91176E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926777676907E+02 0.86606E+01 -0.30923E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918091515057E+02 0.86862E+00 -0.17177E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914334726738E+02 0.37568E+00 -0.54605E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913521083683E+02 0.81364E-01 -0.13103E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913437741479E+02 0.83342E-02 -0.43829E-02 760 0.110E+00 0.299E-01
DAV: 11 -0.913481394340E+02 -0.43653E-02 -0.11797E-02 616 0.563E-01 0.134E-01
DAV: 12 -0.913513645892E+02 -0.32252E-02 -0.28775E-03 623 0.247E-01 0.108E-01
DAV: 13 -0.913548279627E+02 -0.34634E-02 -0.11668E-03 669 0.189E-01 0.442E-02
DAV: 14 -0.913580767266E+02 -0.32488E-02 -0.73583E-04 664 0.151E-01 0.376E-02
DAV: 15 -0.913594198474E+02 -0.13431E-02 -0.14714E-04 744 0.832E-02 0.334E-02
DAV: 16 -0.913609259922E+02 -0.15061E-02 -0.32815E-04 648 0.883E-02 0.164E-02
DAV: 17 -0.913613782340E+02 -0.45224E-03 -0.72919E-05 744 0.575E-02 0.125E-02
DAV: 18 -0.913616114352E+02 -0.23320E-03 -0.35535E-05 568 0.260E-02 0.850E-03
DAV: 19 -0.913616650844E+02 -0.53649E-04 -0.85667E-06 496 0.157E-02 0.386E-03
DAV: 20 -0.913616951428E+02 -0.30058E-04 -0.59599E-06 421 0.152E-02 0.160E-03
DAV: 21 -0.913617108479E+02 -0.15705E-04 -0.23447E-06 461 0.690E-03 0.199E-03
DAV: 22 -0.913617146043E+02 -0.37564E-05 -0.58421E-07 480 0.478E-03
1 F= -.91361715E+02 E0= -.91366489E+02 d E =0.143238E-01