./iterations/neb0_image01_iter61_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 0.366477977405E+03 0.36648E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.342767738462E+01 -0.36305E+03 -0.34961E+03 839 0.195E+02
DAV: 3 -0.957630647187E+02 -0.99191E+02 -0.98850E+02 688 0.116E+02
DAV: 4 -0.100181736776E+03 -0.44187E+01 -0.44094E+01 685 0.278E+01
DAV: 5 -0.100269513209E+03 -0.87776E-01 -0.87724E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916737281291E+02 0.85958E+01 -0.31144E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908616971109E+02 0.81203E+00 -0.18153E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904802764096E+02 0.38142E+00 -0.55970E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.903954075545E+02 0.84869E-01 -0.13699E-01 712 0.164E+00 0.430E-01
DAV: 10 -0.903897254609E+02 0.56821E-02 -0.45235E-02 720 0.126E+00 0.316E-01
DAV: 11 -0.903934485045E+02 -0.37230E-02 -0.66773E-03 616 0.469E-01 0.151E-01
DAV: 12 -0.903968872853E+02 -0.34388E-02 -0.68854E-03 616 0.487E-01 0.124E-01
DAV: 13 -0.903997878678E+02 -0.29006E-02 -0.11645E-03 784 0.290E-01 0.793E-02
DAV: 14 -0.904026769195E+02 -0.28891E-02 -0.16733E-03 631 0.198E-01 0.606E-02
DAV: 15 -0.904049324802E+02 -0.22556E-02 -0.48106E-04 760 0.149E-01 0.419E-02
DAV: 16 -0.904060117800E+02 -0.10793E-02 -0.52362E-04 661 0.127E-01 0.338E-02
DAV: 17 -0.904069476974E+02 -0.93592E-03 -0.17441E-04 726 0.867E-02 0.205E-02
DAV: 18 -0.904071485176E+02 -0.20082E-03 -0.51652E-05 704 0.361E-02 0.136E-02
DAV: 19 -0.904073973982E+02 -0.24888E-03 -0.46665E-05 569 0.349E-02 0.400E-03
DAV: 20 -0.904074570955E+02 -0.59697E-04 -0.49669E-06 480 0.123E-02 0.384E-03
DAV: 21 -0.904075020793E+02 -0.44984E-04 -0.58971E-06 414 0.114E-02 0.160E-03
DAV: 22 -0.904075168143E+02 -0.14735E-04 -0.33190E-06 477 0.768E-03 0.154E-03
DAV: 23 -0.904075180832E+02 -0.12689E-05 -0.45231E-07 536 0.353E-03
1 F= -.90407518E+02 E0= -.90412772E+02 d E =0.157627E-01