./iterations/neb0_image05_iter7_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 0.358841926073E+03 0.35884E+03 -0.14166E+04 624 0.799E+02
DAV: 2 0.632090138576E+01 -0.35252E+03 -0.34049E+03 863 0.192E+02
DAV: 3 -0.901888239480E+02 -0.96510E+02 -0.95836E+02 696 0.114E+02
DAV: 4 -0.950015224898E+02 -0.48127E+01 -0.47899E+01 704 0.278E+01
DAV: 5 -0.951109803588E+02 -0.10946E+00 -0.10940E+00 752 0.368E+00 0.213E+01
DAV: 6 -0.869425108999E+02 0.81685E+01 -0.31445E+01 717 0.307E+01 0.112E+01
DAV: 7 -0.862003730645E+02 0.74214E+00 -0.20518E+00 720 0.790E+00 0.490E+00
DAV: 8 -0.858276038289E+02 0.37277E+00 -0.66750E-01 728 0.453E+00 0.175E+00
DAV: 9 -0.857569937345E+02 0.70610E-01 -0.15869E-01 728 0.184E+00 0.590E-01
DAV: 10 -0.857456779091E+02 0.11316E-01 -0.55572E-02 720 0.142E+00 0.368E-01
DAV: 11 -0.857452079847E+02 0.46992E-03 -0.10246E-02 656 0.719E-01 0.209E-01
DAV: 12 -0.857490487945E+02 -0.38408E-02 -0.14737E-02 599 0.620E-01 0.191E-01
DAV: 13 -0.857514163161E+02 -0.23675E-02 -0.32770E-03 792 0.404E-01 0.779E-02
DAV: 14 -0.857552536716E+02 -0.38374E-02 -0.22686E-03 627 0.255E-01 0.691E-02
DAV: 15 -0.857566088789E+02 -0.13552E-02 -0.26907E-04 736 0.124E-01 0.397E-02
DAV: 16 -0.857588703384E+02 -0.22615E-02 -0.83242E-04 706 0.175E-01 0.407E-02
DAV: 17 -0.857593389955E+02 -0.46866E-03 -0.11483E-04 872 0.783E-02 0.239E-02
DAV: 18 -0.857600516932E+02 -0.71270E-03 -0.14695E-04 658 0.647E-02 0.900E-03
DAV: 19 -0.857604891840E+02 -0.43749E-03 -0.64648E-05 669 0.393E-02 0.148E-02
DAV: 20 -0.857606118147E+02 -0.12263E-03 -0.12955E-05 488 0.307E-02 0.751E-03
DAV: 21 -0.857606691217E+02 -0.57307E-04 -0.47146E-05 623 0.362E-02 0.895E-03
DAV: 22 -0.857606858362E+02 -0.16715E-04 -0.12203E-05 536 0.278E-02 0.150E-03
DAV: 23 -0.857606986246E+02 -0.12788E-04 -0.33213E-06 410 0.129E-02 0.151E-03
DAV: 24 -0.857607060625E+02 -0.74379E-05 -0.21107E-06 457 0.630E-03
1 F= -.85760706E+02 E0= -.85764605E+02 d E =0.116970E-01