iterations/neb0_image01_iter57_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 0.366748519472E+03 0.36675E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.345996279423E+01 -0.36329E+03 -0.34986E+03 839 0.195E+02
DAV: 3 -0.956323241356E+02 -0.99092E+02 -0.98750E+02 672 0.116E+02
DAV: 4 -0.100205279206E+03 -0.45730E+01 -0.45633E+01 685 0.287E+01
DAV: 5 -0.100296728431E+03 -0.91449E-01 -0.91395E-01 744 0.362E+00 0.222E+01
DAV: 6 -0.916725710264E+02 0.86242E+01 -0.31184E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908611476102E+02 0.81142E+00 -0.18299E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904799897534E+02 0.38116E+00 -0.55470E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903939051336E+02 0.86085E-01 -0.13774E-01 696 0.165E+00 0.429E-01
DAV: 10 -0.903882180676E+02 0.56871E-02 -0.46055E-02 744 0.126E+00 0.317E-01
DAV: 11 -0.903920277594E+02 -0.38097E-02 -0.69022E-03 608 0.482E-01 0.144E-01
DAV: 12 -0.903954891191E+02 -0.34614E-02 -0.67331E-03 632 0.471E-01 0.125E-01
DAV: 13 -0.903982997543E+02 -0.28106E-02 -0.12170E-03 808 0.296E-01 0.782E-02
DAV: 14 -0.904012523494E+02 -0.29526E-02 -0.16263E-03 631 0.195E-01 0.617E-02
DAV: 15 -0.904034243453E+02 -0.21720E-02 -0.45421E-04 736 0.141E-01 0.445E-02
DAV: 16 -0.904045595410E+02 -0.11352E-02 -0.63332E-04 661 0.142E-01 0.346E-02
DAV: 17 -0.904054916226E+02 -0.93208E-03 -0.18215E-04 742 0.898E-02 0.222E-02
DAV: 18 -0.904056489885E+02 -0.15737E-03 -0.42570E-05 712 0.327E-02 0.151E-02
DAV: 19 -0.904059131314E+02 -0.26414E-03 -0.54038E-05 627 0.385E-02 0.378E-03
DAV: 20 -0.904059706139E+02 -0.57483E-04 -0.54768E-06 480 0.129E-02 0.425E-03
DAV: 21 -0.904060141689E+02 -0.43555E-04 -0.50735E-06 428 0.118E-02 0.350E-03
DAV: 22 -0.904060364702E+02 -0.22301E-04 -0.41159E-06 477 0.916E-03 0.258E-03
DAV: 23 -0.904060388586E+02 -0.23884E-05 -0.16392E-06 520 0.752E-03
1 F= -.90406039E+02 E0= -.90411058E+02 d E =0.150568E-01