iterations/neb0_image05_iter209_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 0.367140926234E+03 0.36714E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.349787271772E+01 -0.36364E+03 -0.35053E+03 856 0.195E+02
DAV: 3 -0.954235631008E+02 -0.98921E+02 -0.98595E+02 677 0.116E+02
DAV: 4 -0.998834560553E+02 -0.44599E+01 -0.44495E+01 720 0.280E+01
DAV: 5 -0.999715895075E+02 -0.88133E-01 -0.88093E-01 728 0.350E+00 0.221E+01
DAV: 6 -0.915142916362E+02 0.84573E+01 -0.30544E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907154796013E+02 0.79881E+00 -0.17536E+00 720 0.634E+00 0.481E+00
DAV: 8 -0.903434165946E+02 0.37206E+00 -0.53627E-01 720 0.429E+00 0.167E+00
DAV: 9 -0.902591358476E+02 0.84281E-01 -0.13641E-01 720 0.169E+00 0.442E-01
DAV: 10 -0.902523214446E+02 0.68144E-02 -0.38527E-02 704 0.118E+00 0.302E-01
DAV: 11 -0.902551887094E+02 -0.28673E-02 -0.58638E-03 616 0.518E-01 0.149E-01
DAV: 12 -0.902575621156E+02 -0.23734E-02 -0.50862E-03 616 0.436E-01 0.106E-01
DAV: 13 -0.902607522924E+02 -0.31902E-02 -0.11057E-03 730 0.234E-01 0.763E-02
DAV: 14 -0.902641160123E+02 -0.33637E-02 -0.12033E-03 633 0.153E-01 0.461E-02
DAV: 15 -0.902670237329E+02 -0.29077E-02 -0.58037E-04 736 0.154E-01 0.340E-02
DAV: 16 -0.902681492959E+02 -0.11256E-02 -0.30351E-04 688 0.880E-02 0.310E-02
DAV: 17 -0.902687399399E+02 -0.59064E-03 -0.15667E-04 800 0.864E-02 0.151E-02
DAV: 18 -0.902689737684E+02 -0.23383E-03 -0.75278E-05 640 0.497E-02 0.142E-02
DAV: 19 -0.902692179435E+02 -0.24418E-03 -0.29968E-05 567 0.268E-02 0.107E-02
DAV: 20 -0.902692690090E+02 -0.51065E-04 -0.16738E-05 576 0.276E-02 0.312E-03
DAV: 21 -0.902693030916E+02 -0.34083E-04 -0.67143E-06 418 0.154E-02 0.265E-03
DAV: 22 -0.902693234924E+02 -0.20401E-04 -0.27367E-06 453 0.675E-03 0.253E-03
DAV: 23 -0.902693268907E+02 -0.33983E-05 -0.81852E-07 488 0.698E-03
1 F= -.90269327E+02 E0= -.90278171E+02 d E =0.265322E-01