./iterations/neb0_image09_iter69_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 0.374944094560E+03 0.37494E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.256802507767E+01 -0.37238E+03 -0.36000E+03 877 0.196E+02
DAV: 3 -0.967139861334E+02 -0.99282E+02 -0.98945E+02 656 0.117E+02
DAV: 4 -0.101249862404E+03 -0.45359E+01 -0.45267E+01 688 0.289E+01
DAV: 5 -0.101339870445E+03 -0.90008E-01 -0.89968E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926709246407E+02 0.86689E+01 -0.30858E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918004866639E+02 0.87044E+00 -0.17271E+00 728 0.617E+00 0.480E+00
DAV: 8 -0.914226081771E+02 0.37788E+00 -0.54361E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913397074755E+02 0.82901E-01 -0.13187E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913307338201E+02 0.89737E-02 -0.46753E-02 768 0.113E+00 0.307E-01
DAV: 11 -0.913352914184E+02 -0.45576E-02 -0.14068E-02 616 0.617E-01 0.151E-01
DAV: 12 -0.913381559568E+02 -0.28645E-02 -0.30352E-03 620 0.243E-01 0.116E-01
DAV: 13 -0.913420523305E+02 -0.38964E-02 -0.18351E-03 712 0.233E-01 0.446E-02
DAV: 14 -0.913453988248E+02 -0.33465E-02 -0.54759E-04 669 0.129E-01 0.311E-02
DAV: 15 -0.913469839007E+02 -0.15851E-02 -0.14269E-04 696 0.655E-02 0.328E-02
DAV: 16 -0.913482697389E+02 -0.12858E-02 -0.34276E-04 655 0.939E-02 0.197E-02
DAV: 17 -0.913485289457E+02 -0.25921E-03 -0.39383E-05 656 0.443E-02 0.129E-02
DAV: 18 -0.913487717317E+02 -0.24279E-03 -0.52199E-05 620 0.358E-02 0.105E-02
DAV: 19 -0.913488495057E+02 -0.77774E-04 -0.78783E-06 480 0.205E-02 0.512E-03
DAV: 20 -0.913488827253E+02 -0.33220E-04 -0.14701E-05 448 0.223E-02 0.359E-03
DAV: 21 -0.913489037344E+02 -0.21009E-04 -0.30992E-06 444 0.110E-02 0.217E-03
DAV: 22 -0.913489085677E+02 -0.48333E-05 -0.20068E-06 472 0.802E-03
1 F= -.91348909E+02 E0= -.91353564E+02 d E =0.139666E-01