iterations/neb0_image08_iter257_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 0.374276963986E+03 0.37428E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.396218947476E+01 -0.37031E+03 -0.35794E+03 869 0.196E+02
DAV: 3 -0.965466053424E+02 -0.10051E+03 -0.10018E+03 653 0.117E+02
DAV: 4 -0.101254371512E+03 -0.47078E+01 -0.46958E+01 720 0.293E+01
DAV: 5 -0.101347011658E+03 -0.92640E-01 -0.92590E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926524991135E+02 0.86945E+01 -0.31018E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917924940219E+02 0.86001E+00 -0.17283E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914192657189E+02 0.37323E+00 -0.53624E-01 728 0.393E+00 0.163E+00
DAV: 9 -0.913381969883E+02 0.81069E-01 -0.13133E-01 736 0.154E+00 0.419E-01
DAV: 10 -0.913298780501E+02 0.83189E-02 -0.44536E-02 736 0.107E+00 0.301E-01
DAV: 11 -0.913346883088E+02 -0.48103E-02 -0.13789E-02 608 0.608E-01 0.150E-01
DAV: 12 -0.913376353531E+02 -0.29470E-02 -0.27307E-03 626 0.224E-01 0.115E-01
DAV: 13 -0.913414150085E+02 -0.37797E-02 -0.28185E-03 642 0.279E-01 0.573E-02
DAV: 14 -0.913444789774E+02 -0.30640E-02 -0.77459E-04 664 0.162E-01 0.232E-02
DAV: 15 -0.913460455130E+02 -0.15665E-02 -0.16461E-04 664 0.621E-02 0.173E-02
DAV: 16 -0.913470457506E+02 -0.10002E-02 -0.11789E-04 656 0.602E-02 0.934E-03
DAV: 17 -0.913474954197E+02 -0.44967E-03 -0.40431E-05 600 0.265E-02 0.967E-03
DAV: 18 -0.913476307063E+02 -0.13529E-03 -0.13286E-05 488 0.239E-02 0.418E-03
DAV: 19 -0.913477314911E+02 -0.10078E-03 -0.18750E-05 490 0.184E-02 0.429E-03
DAV: 20 -0.913477407967E+02 -0.93057E-05 -0.14325E-06 528 0.966E-03
1 F= -.91347741E+02 E0= -.91352743E+02 d E =0.150065E-01