iterations/neb0_image08_iter131_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 0.374455733135E+03 0.37446E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.395159035529E+01 -0.37050E+03 -0.35675E+03 861 0.196E+02
DAV: 3 -0.966735140832E+02 -0.10063E+03 -0.10028E+03 677 0.117E+02
DAV: 4 -0.101156164539E+03 -0.44827E+01 -0.44714E+01 704 0.281E+01
DAV: 5 -0.101245535860E+03 -0.89371E-01 -0.89334E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.926261132705E+02 0.86194E+01 -0.30830E+01 714 0.301E+01 0.118E+01
DAV: 7 -0.917659324804E+02 0.86018E+00 -0.17008E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913887338068E+02 0.37720E+00 -0.55724E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.913074257536E+02 0.81308E-01 -0.13033E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.912986731535E+02 0.87526E-02 -0.45555E-02 736 0.111E+00 0.303E-01
DAV: 11 -0.913034189323E+02 -0.47458E-02 -0.13486E-02 605 0.601E-01 0.151E-01
DAV: 12 -0.913063250978E+02 -0.29062E-02 -0.28838E-03 628 0.257E-01 0.108E-01
DAV: 13 -0.913097016247E+02 -0.33765E-02 -0.13334E-03 661 0.195E-01 0.488E-02
DAV: 14 -0.913132117001E+02 -0.35101E-02 -0.89067E-04 648 0.193E-01 0.391E-02
DAV: 15 -0.913144601419E+02 -0.12484E-02 -0.24488E-04 680 0.101E-01 0.420E-02
DAV: 16 -0.913156069833E+02 -0.11468E-02 -0.35081E-04 653 0.105E-01 0.175E-02
DAV: 17 -0.913162098142E+02 -0.60283E-03 -0.80891E-05 664 0.550E-02 0.159E-02
DAV: 18 -0.913164438855E+02 -0.23407E-03 -0.41966E-05 592 0.347E-02 0.121E-02
DAV: 19 -0.913165864627E+02 -0.14258E-03 -0.20737E-05 461 0.235E-02 0.538E-03
DAV: 20 -0.913166226136E+02 -0.36151E-04 -0.70426E-06 464 0.137E-02 0.251E-03
DAV: 21 -0.913166506868E+02 -0.28073E-04 -0.46929E-06 417 0.118E-02 0.131E-03
DAV: 22 -0.913166582087E+02 -0.75219E-05 -0.17788E-06 461 0.574E-03
1 F= -.91316658E+02 E0= -.91321627E+02 d E =0.149068E-01