iterations/neb0_image09_iter2_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 0.371211427901E+03 0.37121E+03 -0.14258E+04 624 0.799E+02
DAV: 2 0.295788171342E+01 -0.36825E+03 -0.35549E+03 880 0.195E+02
DAV: 3 -0.957617133548E+02 -0.98720E+02 -0.98359E+02 664 0.116E+02
DAV: 4 -0.100329392496E+03 -0.45677E+01 -0.45558E+01 712 0.286E+01
DAV: 5 -0.100421133186E+03 -0.91741E-01 -0.91702E-01 728 0.363E+00 0.225E+01
DAV: 6 -0.917907114311E+02 0.86304E+01 -0.31277E+01 693 0.304E+01 0.118E+01
DAV: 7 -0.909478802324E+02 0.84283E+00 -0.16020E+00 720 0.620E+00 0.483E+00
DAV: 8 -0.905708111039E+02 0.37707E+00 -0.57414E-01 712 0.407E+00 0.164E+00
DAV: 9 -0.904857946330E+02 0.85016E-01 -0.12897E-01 701 0.166E+00 0.446E-01
DAV: 10 -0.904763243016E+02 0.94703E-02 -0.24786E-02 776 0.758E-01 0.263E-01
DAV: 11 -0.904794400784E+02 -0.31158E-02 -0.93255E-03 602 0.577E-01 0.155E-01
DAV: 12 -0.904816460510E+02 -0.22060E-02 -0.34356E-03 632 0.378E-01 0.951E-02
DAV: 13 -0.904858401269E+02 -0.41941E-02 -0.24935E-03 617 0.254E-01 0.895E-02
DAV: 14 -0.904886315099E+02 -0.27914E-02 -0.82144E-04 669 0.156E-01 0.323E-02
DAV: 15 -0.904916243151E+02 -0.29928E-02 -0.51630E-04 685 0.110E-01 0.346E-02
DAV: 16 -0.904931467077E+02 -0.15224E-02 -0.24152E-04 792 0.104E-01 0.171E-02
DAV: 17 -0.904937293256E+02 -0.58262E-03 -0.88158E-05 688 0.488E-02 0.180E-02
DAV: 18 -0.904940064651E+02 -0.27714E-03 -0.53336E-05 632 0.455E-02 0.970E-03
DAV: 19 -0.904941431393E+02 -0.13667E-03 -0.30143E-05 608 0.336E-02 0.561E-03
DAV: 20 -0.904942158223E+02 -0.72683E-04 -0.71060E-06 437 0.161E-02 0.268E-03
DAV: 21 -0.904942455986E+02 -0.29776E-04 -0.56829E-06 453 0.110E-02 0.168E-03
DAV: 22 -0.904942557665E+02 -0.10168E-04 -0.13789E-06 445 0.625E-03 0.598E-04
DAV: 23 -0.904942587533E+02 -0.29867E-05 -0.11479E-06 447 0.550E-03
1 F= -.90494259E+02 E0= -.90498248E+02 d E =0.119689E-01