iterations/neb0_image02_iter140_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 0.363992626264E+03 0.36399E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.217581913372E+01 -0.36182E+03 -0.34922E+03 853 0.194E+02
DAV: 3 -0.956306239297E+02 -0.97806E+02 -0.97487E+02 656 0.115E+02
DAV: 4 -0.100193775103E+03 -0.45632E+01 -0.45525E+01 712 0.288E+01
DAV: 5 -0.100282640742E+03 -0.88866E-01 -0.88831E-01 728 0.362E+00 0.222E+01
DAV: 6 -0.916705021476E+02 0.86121E+01 -0.31010E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908586652644E+02 0.81184E+00 -0.18382E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.904772757627E+02 0.38139E+00 -0.55634E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903896043811E+02 0.87671E-01 -0.13828E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903839416126E+02 0.56628E-02 -0.50284E-02 704 0.133E+00 0.330E-01
DAV: 11 -0.903872399565E+02 -0.32983E-02 -0.71252E-03 608 0.510E-01 0.157E-01
DAV: 12 -0.903906979596E+02 -0.34580E-02 -0.88394E-03 624 0.523E-01 0.142E-01
DAV: 13 -0.903933835318E+02 -0.26856E-02 -0.20448E-03 912 0.368E-01 0.836E-02
DAV: 14 -0.903963470447E+02 -0.29635E-02 -0.13934E-03 648 0.178E-01 0.648E-02
DAV: 15 -0.903985345063E+02 -0.21875E-02 -0.40843E-04 664 0.109E-01 0.492E-02
DAV: 16 -0.904000131941E+02 -0.14787E-02 -0.76883E-04 664 0.161E-01 0.321E-02
DAV: 17 -0.904008867749E+02 -0.87358E-03 -0.13578E-04 672 0.733E-02 0.261E-02
DAV: 18 -0.904011063278E+02 -0.21955E-03 -0.68624E-05 680 0.418E-02 0.110E-02
DAV: 19 -0.904012854626E+02 -0.17913E-03 -0.39427E-05 629 0.326E-02 0.578E-03
DAV: 20 -0.904013266506E+02 -0.41188E-04 -0.37898E-06 480 0.146E-02 0.578E-03
DAV: 21 -0.904013565168E+02 -0.29866E-04 -0.76686E-06 440 0.165E-02 0.697E-03
DAV: 22 -0.904013764382E+02 -0.19921E-04 -0.44333E-06 472 0.151E-02 0.341E-03
DAV: 23 -0.904013830870E+02 -0.66488E-05 -0.67506E-06 456 0.142E-02
1 F= -.90401383E+02 E0= -.90407752E+02 d E =0.191073E-01