iterations/neb0_image01_iter73_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 0.366380614759E+03 0.36638E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.340851187256E+01 -0.36297E+03 -0.34957E+03 839 0.195E+02
DAV: 3 -0.957505728041E+02 -0.99159E+02 -0.98818E+02 688 0.116E+02
DAV: 4 -0.100170863613E+03 -0.44203E+01 -0.44110E+01 693 0.278E+01
DAV: 5 -0.100258443088E+03 -0.87579E-01 -0.87529E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916731498925E+02 0.85853E+01 -0.31098E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908604686152E+02 0.81268E+00 -0.18085E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904791920003E+02 0.38128E+00 -0.56150E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.903948471952E+02 0.84345E-01 -0.13669E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903892178020E+02 0.56294E-02 -0.44473E-02 720 0.126E+00 0.313E-01
DAV: 11 -0.903929473350E+02 -0.37295E-02 -0.64912E-03 616 0.457E-01 0.154E-01
DAV: 12 -0.903964180968E+02 -0.34708E-02 -0.69204E-03 616 0.495E-01 0.123E-01
DAV: 13 -0.903993326652E+02 -0.29146E-02 -0.11721E-03 776 0.288E-01 0.791E-02
DAV: 14 -0.904021939616E+02 -0.28613E-02 -0.16464E-03 639 0.196E-01 0.582E-02
DAV: 15 -0.904044319152E+02 -0.22380E-02 -0.43237E-04 752 0.141E-01 0.394E-02
DAV: 16 -0.904055869422E+02 -0.11550E-02 -0.50430E-04 661 0.125E-01 0.335E-02
DAV: 17 -0.904064934902E+02 -0.90655E-03 -0.17602E-04 775 0.893E-02 0.187E-02
DAV: 18 -0.904066984028E+02 -0.20491E-03 -0.50620E-05 688 0.352E-02 0.133E-02
DAV: 19 -0.904069223774E+02 -0.22397E-03 -0.50060E-05 636 0.363E-02 0.647E-03
DAV: 20 -0.904069655601E+02 -0.43183E-04 -0.37252E-06 480 0.143E-02 0.477E-03
DAV: 21 -0.904070092911E+02 -0.43731E-04 -0.11585E-05 411 0.188E-02 0.248E-03
DAV: 22 -0.904070202693E+02 -0.10978E-04 -0.21662E-06 477 0.826E-03 0.185E-03
DAV: 23 -0.904070235127E+02 -0.32434E-05 -0.87657E-07 456 0.540E-03
1 F= -.90407024E+02 E0= -.90412163E+02 d E =0.154178E-01