./iterations/neb0_image07_iter54_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.790584589608E+03 0.79058E+03 -0.25986E+04 920 0.101E+03
DAV: 2 0.101730858390E+03 -0.68885E+03 -0.67175E+03 1104 0.280E+02
DAV: 3 -0.623650146809E+02 -0.16410E+03 -0.16362E+03 811 0.155E+02
DAV: 4 -0.672732489742E+02 -0.49082E+01 -0.48809E+01 928 0.295E+01
DAV: 5 -0.673299437927E+02 -0.56695E-01 -0.56574E-01 864 0.321E+00 0.192E+01
DAV: 6 -0.622937150612E+02 0.50362E+01 -0.19616E+01 856 0.253E+01 0.104E+01
DAV: 7 -0.620901224931E+02 0.20359E+00 -0.14432E+00 872 0.823E+00 0.408E+00
DAV: 8 -0.620327138539E+02 0.57409E-01 -0.15369E-01 976 0.318E+00 0.161E+00
DAV: 9 -0.620172069430E+02 0.15507E-01 -0.40163E-02 872 0.182E+00 0.404E-01
DAV: 10 -0.620123886310E+02 0.48183E-02 -0.13439E-02 992 0.983E-01 0.243E-01
DAV: 11 -0.620113738784E+02 0.10148E-02 -0.32645E-03 896 0.604E-01 0.105E-01
DAV: 12 -0.620129314217E+02 -0.15575E-02 -0.21964E-03 963 0.499E-01 0.789E-02
DAV: 13 -0.620155108929E+02 -0.25795E-02 -0.12140E-03 899 0.339E-01 0.748E-02
DAV: 14 -0.620177510433E+02 -0.22402E-02 -0.60690E-04 912 0.177E-01 0.406E-02
DAV: 15 -0.620192610253E+02 -0.15100E-02 -0.17598E-04 912 0.727E-02 0.179E-02
DAV: 16 -0.620199740713E+02 -0.71305E-03 -0.39219E-05 712 0.321E-02 0.121E-02
DAV: 17 -0.620205614290E+02 -0.58736E-03 -0.46339E-05 744 0.274E-02 0.949E-03
DAV: 18 -0.620207558019E+02 -0.19437E-03 -0.94823E-06 648 0.169E-02 0.355E-03
DAV: 19 -0.620208239282E+02 -0.68126E-04 -0.38827E-06 624 0.867E-03 0.174E-03
DAV: 20 -0.620208512857E+02 -0.27358E-04 -0.15313E-06 608 0.664E-03 0.119E-03
DAV: 21 -0.620208603805E+02 -0.90947E-05 -0.41415E-07 552 0.357E-03
1 F= -.62020860E+02 E0= -.62024726E+02 d E =0.115967E-01