iterations/neb0_image06_iter273_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 0.372347622614E+03 0.37235E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.595092966206E+01 -0.36640E+03 -0.35424E+03 842 0.194E+02
DAV: 3 -0.946939804364E+02 -0.10064E+03 -0.10022E+03 696 0.116E+02
DAV: 4 -0.992483528091E+02 -0.45544E+01 -0.45371E+01 712 0.279E+01
DAV: 5 -0.993415872941E+02 -0.93234E-01 -0.93189E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.909841945924E+02 0.83574E+01 -0.29730E+01 696 0.303E+01 0.115E+01
DAV: 7 -0.901833133411E+02 0.80088E+00 -0.16463E+00 720 0.628E+00 0.479E+00
DAV: 8 -0.898078186425E+02 0.37549E+00 -0.57093E-01 712 0.417E+00 0.162E+00
DAV: 9 -0.897210317784E+02 0.86787E-01 -0.12257E-01 704 0.164E+00 0.437E-01
DAV: 10 -0.897113734404E+02 0.96583E-02 -0.35445E-02 741 0.917E-01 0.298E-01
DAV: 11 -0.897153721915E+02 -0.39988E-02 -0.14573E-02 608 0.700E-01 0.203E-01
DAV: 12 -0.897158527130E+02 -0.48052E-03 -0.43678E-03 696 0.424E-01 0.105E-01
DAV: 13 -0.897207320746E+02 -0.48794E-02 -0.43633E-03 601 0.383E-01 0.107E-01
DAV: 14 -0.897222335079E+02 -0.15014E-02 -0.60047E-04 752 0.186E-01 0.589E-02
DAV: 15 -0.897255497473E+02 -0.33162E-02 -0.16127E-03 635 0.242E-01 0.518E-02
DAV: 16 -0.897273263756E+02 -0.17766E-02 -0.37354E-04 800 0.145E-01 0.224E-02
DAV: 17 -0.897283306228E+02 -0.10042E-02 -0.20630E-04 680 0.673E-02 0.136E-02
DAV: 18 -0.897289265704E+02 -0.59595E-03 -0.71039E-05 580 0.377E-02 0.137E-02
DAV: 19 -0.897290156365E+02 -0.89066E-04 -0.97834E-06 512 0.273E-02 0.751E-03
DAV: 20 -0.897290940701E+02 -0.78434E-04 -0.36061E-05 548 0.338E-02 0.705E-03
DAV: 21 -0.897291313341E+02 -0.37264E-04 -0.53091E-06 469 0.175E-02 0.334E-03
DAV: 22 -0.897291478569E+02 -0.16523E-04 -0.38095E-06 420 0.870E-03 0.149E-03
DAV: 23 -0.897291528925E+02 -0.50356E-05 -0.13545E-06 466 0.551E-03
1 F= -.89729153E+02 E0= -.89733909E+02 d E =0.142668E-01