iterations/neb0_image06_iter154_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 0.371867231212E+03 0.37187E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.377230325355E+01 -0.36809E+03 -0.35632E+03 874 0.193E+02
DAV: 3 -0.960356296573E+02 -0.99808E+02 -0.99482E+02 690 0.116E+02
DAV: 4 -0.100487801754E+03 -0.44522E+01 -0.44405E+01 696 0.277E+01
DAV: 5 -0.100574843143E+03 -0.87041E-01 -0.86994E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.919589611313E+02 0.86159E+01 -0.30776E+01 709 0.305E+01 0.119E+01
DAV: 7 -0.911315054177E+02 0.82746E+00 -0.17551E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.907548160873E+02 0.37669E+00 -0.53304E-01 712 0.405E+00 0.170E+00
DAV: 9 -0.906630905569E+02 0.91726E-01 -0.13329E-01 728 0.162E+00 0.424E-01
DAV: 10 -0.906532399696E+02 0.98506E-02 -0.35003E-02 752 0.946E-01 0.279E-01
DAV: 11 -0.906571066246E+02 -0.38667E-02 -0.84232E-03 610 0.477E-01 0.136E-01
DAV: 12 -0.906598318975E+02 -0.27253E-02 -0.17906E-03 642 0.251E-01 0.856E-02
DAV: 13 -0.906639958071E+02 -0.41639E-02 -0.17157E-03 619 0.202E-01 0.676E-02
DAV: 14 -0.906665282175E+02 -0.25324E-02 -0.65665E-04 784 0.183E-01 0.280E-02
DAV: 15 -0.906690095805E+02 -0.24814E-02 -0.34116E-04 631 0.888E-02 0.348E-02
DAV: 16 -0.906704299128E+02 -0.14203E-02 -0.20100E-04 704 0.855E-02 0.177E-02
DAV: 17 -0.906712331735E+02 -0.80326E-03 -0.14378E-04 671 0.593E-02 0.150E-02
DAV: 18 -0.906714437945E+02 -0.21062E-03 -0.28125E-05 560 0.345E-02 0.603E-03
DAV: 19 -0.906715907045E+02 -0.14691E-03 -0.23389E-05 486 0.213E-02 0.426E-03
DAV: 20 -0.906716132626E+02 -0.22558E-04 -0.26782E-06 520 0.123E-02 0.167E-03
DAV: 21 -0.906716397993E+02 -0.26537E-04 -0.72638E-06 400 0.141E-02 0.322E-03
DAV: 22 -0.906716411560E+02 -0.13567E-05 -0.10581E-06 528 0.912E-03
1 F= -.90671641E+02 E0= -.90676840E+02 d E =0.155953E-01