./iterations/neb0_image02_iter256_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 0.366391055834E+03 0.36639E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.738448101425E+00 -0.36565E+03 -0.35502E+03 869 0.196E+02
DAV: 3 -0.956124336778E+02 -0.96351E+02 -0.96022E+02 621 0.116E+02
DAV: 4 -0.100267627567E+03 -0.46552E+01 -0.46453E+01 712 0.299E+01
DAV: 5 -0.100360759186E+03 -0.93132E-01 -0.93099E-01 744 0.379E+00 0.223E+01
DAV: 6 -0.916791281902E+02 0.86816E+01 -0.30934E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908528997463E+02 0.82623E+00 -0.18221E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904724238295E+02 0.38048E+00 -0.55592E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903883409451E+02 0.84083E-01 -0.13387E-01 720 0.166E+00 0.426E-01
DAV: 10 -0.903840444367E+02 0.42965E-02 -0.48237E-02 712 0.122E+00 0.329E-01
DAV: 11 -0.903880620420E+02 -0.40176E-02 -0.82178E-03 624 0.635E-01 0.113E-01
DAV: 12 -0.903908680039E+02 -0.28060E-02 -0.58439E-03 632 0.377E-01 0.130E-01
DAV: 13 -0.903935980424E+02 -0.27300E-02 -0.17371E-03 869 0.314E-01 0.823E-02
DAV: 14 -0.903966670910E+02 -0.30690E-02 -0.12343E-03 612 0.162E-01 0.680E-02
DAV: 15 -0.903985373391E+02 -0.18702E-02 -0.31565E-04 680 0.106E-01 0.473E-02
DAV: 16 -0.903998926514E+02 -0.13553E-02 -0.85220E-04 680 0.168E-01 0.376E-02
DAV: 17 -0.904004865523E+02 -0.59390E-03 -0.16781E-04 880 0.897E-02 0.194E-02
DAV: 18 -0.904006387115E+02 -0.15216E-03 -0.35208E-05 696 0.315E-02 0.911E-03
DAV: 19 -0.904009115089E+02 -0.27280E-03 -0.37659E-05 566 0.276E-02 0.375E-03
DAV: 20 -0.904009443154E+02 -0.32807E-04 -0.26442E-06 520 0.105E-02 0.320E-03
DAV: 21 -0.904009970476E+02 -0.52732E-04 -0.89304E-06 398 0.159E-02 0.319E-03
DAV: 22 -0.904010073780E+02 -0.10330E-04 -0.20395E-06 488 0.714E-03 0.274E-03
DAV: 23 -0.904010103386E+02 -0.29606E-05 -0.17797E-06 496 0.921E-03
1 F= -.90401010E+02 E0= -.90408197E+02 d E =0.215593E-01