./iterations/neb0_image03_iter242_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 0.362857654294E+03 0.36286E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.111258654388E+01 -0.36175E+03 -0.35185E+03 839 0.195E+02
DAV: 3 -0.959241512512E+02 -0.97037E+02 -0.96705E+02 672 0.115E+02
DAV: 4 -0.100268741069E+03 -0.43446E+01 -0.43326E+01 704 0.277E+01
DAV: 5 -0.100354554124E+03 -0.85813E-01 -0.85781E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.917164215215E+02 0.86381E+01 -0.31207E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908782748413E+02 0.83815E+00 -0.17826E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904865873538E+02 0.39169E+00 -0.56105E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903954399980E+02 0.91147E-01 -0.12980E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903886925640E+02 0.67474E-02 -0.43459E-02 704 0.111E+00 0.326E-01
DAV: 11 -0.903932661605E+02 -0.45736E-02 -0.78076E-03 624 0.597E-01 0.122E-01
DAV: 12 -0.903958770561E+02 -0.26109E-02 -0.34407E-03 632 0.304E-01 0.102E-01
DAV: 13 -0.904007518576E+02 -0.48748E-02 -0.19385E-03 658 0.237E-01 0.882E-02
DAV: 14 -0.904038933363E+02 -0.31415E-02 -0.11195E-03 677 0.163E-01 0.378E-02
DAV: 15 -0.904058586089E+02 -0.19653E-02 -0.25089E-04 672 0.738E-02 0.243E-02
DAV: 16 -0.904074251154E+02 -0.15665E-02 -0.22495E-04 658 0.685E-02 0.129E-02
DAV: 17 -0.904078973046E+02 -0.47219E-03 -0.35012E-05 624 0.288E-02 0.105E-02
DAV: 18 -0.904082792392E+02 -0.38193E-03 -0.81273E-05 626 0.416E-02 0.814E-03
DAV: 19 -0.904082956085E+02 -0.16369E-04 -0.44558E-06 528 0.182E-02 0.511E-03
DAV: 20 -0.904083376702E+02 -0.42062E-04 -0.12638E-05 415 0.213E-02 0.356E-03
DAV: 21 -0.904083738197E+02 -0.36150E-04 -0.46729E-06 469 0.111E-02 0.228E-03
DAV: 22 -0.904083807902E+02 -0.69705E-05 -0.18597E-06 504 0.681E-03
1 F= -.90408381E+02 E0= -.90416539E+02 d E =0.244748E-01