iterations/neb0_image01_iter165_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 0.365888874672E+03 0.36589E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.319556728951E+01 -0.36269E+03 -0.34980E+03 839 0.196E+02
DAV: 3 -0.955992561044E+02 -0.98795E+02 -0.98446E+02 669 0.116E+02
DAV: 4 -0.100229388133E+03 -0.46301E+01 -0.46191E+01 680 0.287E+01
DAV: 5 -0.100322734910E+03 -0.93347E-01 -0.93295E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916878136507E+02 0.86349E+01 -0.30960E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908805477041E+02 0.80727E+00 -0.18317E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905047783225E+02 0.37577E+00 -0.55508E-01 704 0.430E+00 0.166E+00
DAV: 9 -0.904233807172E+02 0.81398E-01 -0.13086E-01 712 0.169E+00 0.424E-01
DAV: 10 -0.904188669588E+02 0.45138E-02 -0.47724E-02 712 0.125E+00 0.326E-01
DAV: 11 -0.904230946685E+02 -0.42277E-02 -0.87282E-03 608 0.621E-01 0.116E-01
DAV: 12 -0.904262123025E+02 -0.31176E-02 -0.61243E-03 629 0.418E-01 0.129E-01
DAV: 13 -0.904287620797E+02 -0.25498E-02 -0.14945E-03 853 0.299E-01 0.776E-02
DAV: 14 -0.904320838644E+02 -0.33218E-02 -0.16465E-03 639 0.212E-01 0.746E-02
DAV: 15 -0.904335059212E+02 -0.14221E-02 -0.28672E-04 784 0.122E-01 0.556E-02
DAV: 16 -0.904348581943E+02 -0.13523E-02 -0.11230E-03 661 0.207E-01 0.393E-02
DAV: 17 -0.904356968474E+02 -0.83865E-03 -0.16073E-04 714 0.853E-02 0.328E-02
DAV: 18 -0.904359610034E+02 -0.26416E-03 -0.41591E-05 696 0.324E-02 0.245E-02
DAV: 19 -0.904362282503E+02 -0.26725E-03 -0.12419E-04 641 0.681E-02 0.845E-03
DAV: 20 -0.904362545875E+02 -0.26337E-04 -0.20579E-05 600 0.287E-02 0.871E-03
DAV: 21 -0.904362940031E+02 -0.39416E-04 -0.96744E-06 410 0.184E-02 0.862E-03
DAV: 22 -0.904363186928E+02 -0.24690E-04 -0.48661E-06 468 0.177E-02 0.521E-03
DAV: 23 -0.904363236956E+02 -0.50027E-05 -0.99866E-06 512 0.175E-02
1 F= -.90436324E+02 E0= -.90442465E+02 d E =0.184237E-01