iterations/neb0_image01_iter239_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 0.365331813605E+03 0.36533E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.322585599581E+01 -0.36211E+03 -0.34894E+03 839 0.196E+02
DAV: 3 -0.954695751434E+02 -0.98695E+02 -0.98351E+02 645 0.116E+02
DAV: 4 -0.100215473051E+03 -0.47459E+01 -0.47336E+01 704 0.297E+01
DAV: 5 -0.100309009779E+03 -0.93537E-01 -0.93492E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916916117093E+02 0.86174E+01 -0.31031E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908910366421E+02 0.80058E+00 -0.18293E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905146906994E+02 0.37635E+00 -0.55150E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904310733476E+02 0.83617E-01 -0.13414E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904263650863E+02 0.47083E-02 -0.46901E-02 728 0.124E+00 0.320E-01
DAV: 11 -0.904302689738E+02 -0.39039E-02 -0.70846E-03 608 0.526E-01 0.129E-01
DAV: 12 -0.904338449870E+02 -0.35760E-02 -0.71530E-03 637 0.488E-01 0.135E-01
DAV: 13 -0.904362331381E+02 -0.23882E-02 -0.17502E-03 861 0.318E-01 0.746E-02
DAV: 14 -0.904393167604E+02 -0.30836E-02 -0.13838E-03 642 0.181E-01 0.639E-02
DAV: 15 -0.904411290314E+02 -0.18123E-02 -0.35151E-04 680 0.112E-01 0.527E-02
DAV: 16 -0.904425413490E+02 -0.14123E-02 -0.96342E-04 666 0.190E-01 0.353E-02
DAV: 17 -0.904433162505E+02 -0.77490E-03 -0.13093E-04 672 0.746E-02 0.320E-02
DAV: 18 -0.904436103938E+02 -0.29414E-03 -0.97719E-05 672 0.525E-02 0.137E-02
DAV: 19 -0.904437778640E+02 -0.16747E-03 -0.56788E-05 653 0.392E-02 0.821E-03
DAV: 20 -0.904438100805E+02 -0.32216E-04 -0.43041E-06 512 0.163E-02 0.912E-03
DAV: 21 -0.904438476523E+02 -0.37572E-04 -0.72890E-06 409 0.170E-02 0.570E-03
DAV: 22 -0.904438557225E+02 -0.80702E-05 -0.66076E-06 488 0.152E-02
1 F= -.90443856E+02 E0= -.90449085E+02 d E =0.156882E-01