iterations/neb0_image05_iter13_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 0.356098130549E+03 0.35610E+03 -0.14202E+04 632 0.799E+02
DAV: 2 0.540131094096E+01 -0.35070E+03 -0.33906E+03 858 0.191E+02
DAV: 3 -0.909745265521E+02 -0.96376E+02 -0.95805E+02 693 0.114E+02
DAV: 4 -0.958008544704E+02 -0.48263E+01 -0.48069E+01 704 0.278E+01
DAV: 5 -0.959124755025E+02 -0.11162E+00 -0.11156E+00 728 0.369E+00 0.210E+01
DAV: 6 -0.878707059969E+02 0.80418E+01 -0.31039E+01 728 0.300E+01 0.109E+01
DAV: 7 -0.871750581677E+02 0.69565E+00 -0.16581E+00 720 0.741E+00 0.474E+00
DAV: 8 -0.868367110119E+02 0.33835E+00 -0.66860E-01 728 0.446E+00 0.170E+00
DAV: 9 -0.867636350266E+02 0.73076E-01 -0.15043E-01 720 0.192E+00 0.531E-01
DAV: 10 -0.867560959430E+02 0.75391E-02 -0.23144E-02 832 0.930E-01 0.261E-01
DAV: 11 -0.867565700816E+02 -0.47414E-03 -0.82364E-03 672 0.505E-01 0.170E-01
DAV: 12 -0.867596675149E+02 -0.30974E-02 -0.37678E-03 680 0.358E-01 0.961E-02
DAV: 13 -0.867638536153E+02 -0.41861E-02 -0.15314E-03 622 0.224E-01 0.746E-02
DAV: 14 -0.867666162039E+02 -0.27626E-02 -0.86710E-04 677 0.136E-01 0.354E-02
DAV: 15 -0.867690820736E+02 -0.24659E-02 -0.55631E-04 733 0.137E-01 0.374E-02
DAV: 16 -0.867699214503E+02 -0.83938E-03 -0.16947E-04 776 0.931E-02 0.217E-02
DAV: 17 -0.867706028024E+02 -0.68135E-03 -0.20311E-04 754 0.866E-02 0.222E-02
DAV: 18 -0.867709926191E+02 -0.38982E-03 -0.98260E-05 733 0.570E-02 0.146E-02
DAV: 19 -0.867711147358E+02 -0.12212E-03 -0.21688E-05 509 0.288E-02 0.778E-03
DAV: 20 -0.867712579010E+02 -0.14317E-03 -0.52656E-05 606 0.382E-02 0.890E-03
DAV: 21 -0.867712760277E+02 -0.18127E-04 -0.58217E-06 496 0.203E-02 0.434E-03
DAV: 22 -0.867712873899E+02 -0.11362E-04 -0.85455E-06 415 0.157E-02 0.183E-03
DAV: 23 -0.867712954120E+02 -0.80221E-05 -0.16747E-06 466 0.620E-03
1 F= -.86771295E+02 E0= -.86775182E+02 d E =0.116585E-01