./iterations/neb0_image04_iter246_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 0.366959061531E+03 0.36696E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.109543134324E+01 -0.36586E+03 -0.35472E+03 863 0.195E+02
DAV: 3 -0.961135514375E+02 -0.97209E+02 -0.96921E+02 672 0.116E+02
DAV: 4 -0.100288411980E+03 -0.41749E+01 -0.41660E+01 696 0.273E+01
DAV: 5 -0.100370336544E+03 -0.81925E-01 -0.81894E-01 736 0.341E+00 0.223E+01
DAV: 6 -0.916732613150E+02 0.86971E+01 -0.31244E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908216023812E+02 0.85166E+00 -0.18028E+00 712 0.656E+00 0.485E+00
DAV: 8 -0.904147680448E+02 0.40683E+00 -0.54329E-01 712 0.456E+00 0.180E+00
DAV: 9 -0.903249931778E+02 0.89775E-01 -0.14552E-01 728 0.227E+00 0.627E-01
DAV: 10 -0.903064927801E+02 0.18500E-01 -0.42430E-02 712 0.107E+00 0.367E-01
DAV: 11 -0.903085936534E+02 -0.21009E-02 -0.17225E-02 728 0.702E-01 0.305E-01
DAV: 12 -0.903106691961E+02 -0.20755E-02 -0.42641E-03 677 0.609E-01 0.161E-01
DAV: 13 -0.903139437731E+02 -0.32746E-02 -0.34855E-03 644 0.403E-01 0.110E-01
DAV: 14 -0.903174692299E+02 -0.35255E-02 -0.17082E-03 628 0.237E-01 0.543E-02
DAV: 15 -0.903203647247E+02 -0.28955E-02 -0.86410E-04 653 0.146E-01 0.570E-02
DAV: 16 -0.903225786486E+02 -0.22139E-02 -0.58341E-04 848 0.201E-01 0.479E-02
DAV: 17 -0.903237708449E+02 -0.11922E-02 -0.26947E-04 658 0.807E-02 0.385E-02
DAV: 18 -0.903242466346E+02 -0.47579E-03 -0.12980E-04 768 0.839E-02 0.150E-02
DAV: 19 -0.903245265531E+02 -0.27992E-03 -0.84005E-05 649 0.531E-02 0.139E-02
DAV: 20 -0.903246468904E+02 -0.12034E-03 -0.95074E-06 480 0.192E-02 0.119E-02
DAV: 21 -0.903247551208E+02 -0.10823E-03 -0.34519E-05 556 0.338E-02 0.629E-03
DAV: 22 -0.903247791810E+02 -0.24060E-04 -0.43668E-06 496 0.142E-02 0.351E-03
DAV: 23 -0.903247901066E+02 -0.10926E-04 -0.41608E-06 431 0.115E-02 0.148E-03
DAV: 24 -0.903247935290E+02 -0.34224E-05 -0.77712E-07 488 0.516E-03
1 F= -.90324794E+02 E0= -.90332850E+02 d E =0.241698E-01