./iterations/neb0_image07_iter254_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 0.371972758690E+03 0.37197E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.378743079218E+01 -0.36819E+03 -0.35651E+03 866 0.194E+02
DAV: 3 -0.966908162914E+02 -0.10048E+03 -0.10016E+03 693 0.116E+02
DAV: 4 -0.101200745348E+03 -0.45099E+01 -0.44984E+01 704 0.280E+01
DAV: 5 -0.101289212004E+03 -0.88467E-01 -0.88416E-01 736 0.354E+00 0.228E+01
DAV: 6 -0.926177085272E+02 0.86715E+01 -0.30941E+01 693 0.300E+01 0.119E+01
DAV: 7 -0.917600621171E+02 0.85765E+00 -0.17237E+00 736 0.616E+00 0.481E+00
DAV: 8 -0.913841890450E+02 0.37587E+00 -0.53567E-01 736 0.395E+00 0.163E+00
DAV: 9 -0.913015670540E+02 0.82622E-01 -0.13041E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912925064618E+02 0.90606E-02 -0.43715E-02 757 0.107E+00 0.298E-01
DAV: 11 -0.912971623786E+02 -0.46559E-02 -0.13700E-02 608 0.609E-01 0.154E-01
DAV: 12 -0.913000271452E+02 -0.28648E-02 -0.28121E-03 615 0.260E-01 0.956E-02
DAV: 13 -0.913037676256E+02 -0.37405E-02 -0.16780E-03 636 0.201E-01 0.499E-02
DAV: 14 -0.913073186443E+02 -0.35510E-02 -0.10399E-03 714 0.228E-01 0.486E-02
DAV: 15 -0.913085820359E+02 -0.12634E-02 -0.38710E-04 680 0.115E-01 0.336E-02
DAV: 16 -0.913093488573E+02 -0.76682E-03 -0.16540E-04 728 0.788E-02 0.119E-02
DAV: 17 -0.913102738754E+02 -0.92502E-03 -0.12917E-04 706 0.577E-02 0.155E-02
DAV: 18 -0.913104910060E+02 -0.21713E-03 -0.17340E-05 520 0.302E-02 0.885E-03
DAV: 19 -0.913106328478E+02 -0.14184E-03 -0.43761E-05 628 0.345E-02 0.724E-03
DAV: 20 -0.913106525106E+02 -0.19663E-04 -0.38887E-06 512 0.182E-02 0.320E-03
DAV: 21 -0.913106726619E+02 -0.20151E-04 -0.34388E-06 412 0.896E-03 0.149E-03
DAV: 22 -0.913106850840E+02 -0.12422E-04 -0.20204E-06 442 0.741E-03 0.984E-04
DAV: 23 -0.913106864957E+02 -0.14117E-05 -0.59007E-07 504 0.370E-03
1 F= -.91310686E+02 E0= -.91315576E+02 d E =0.146673E-01