iterations/neb0_image04_iter41_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 0.373277605271E+03 0.37328E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.485147253518E+01 -0.36843E+03 -0.35648E+03 869 0.195E+02
DAV: 3 -0.948369136023E+02 -0.99688E+02 -0.99344E+02 645 0.117E+02
DAV: 4 -0.995694745541E+02 -0.47326E+01 -0.47136E+01 720 0.298E+01
DAV: 5 -0.996619291824E+02 -0.92455E-01 -0.92417E-01 728 0.377E+00 0.225E+01
DAV: 6 -0.910327295244E+02 0.86292E+01 -0.30082E+01 706 0.297E+01 0.118E+01
DAV: 7 -0.901607625727E+02 0.87197E+00 -0.17914E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.897625530783E+02 0.39821E+00 -0.56646E-01 712 0.440E+00 0.173E+00
DAV: 9 -0.896711100103E+02 0.91443E-01 -0.13878E-01 728 0.189E+00 0.539E-01
DAV: 10 -0.896600068098E+02 0.11103E-01 -0.22888E-02 728 0.789E-01 0.331E-01
DAV: 11 -0.896596756111E+02 0.33120E-03 -0.11295E-02 656 0.570E-01 0.190E-01
DAV: 12 -0.896623671168E+02 -0.26915E-02 -0.29523E-03 672 0.320E-01 0.113E-01
DAV: 13 -0.896668024313E+02 -0.44353E-02 -0.30385E-03 612 0.312E-01 0.959E-02
DAV: 14 -0.896699137355E+02 -0.31113E-02 -0.80527E-04 672 0.179E-01 0.432E-02
DAV: 15 -0.896730173286E+02 -0.31036E-02 -0.71173E-04 649 0.148E-01 0.395E-02
DAV: 16 -0.896746085299E+02 -0.15912E-02 -0.18362E-04 837 0.991E-02 0.186E-02
DAV: 17 -0.896759245091E+02 -0.13160E-02 -0.19080E-04 674 0.648E-02 0.168E-02
DAV: 18 -0.896763736674E+02 -0.44916E-03 -0.29454E-05 581 0.351E-02 0.971E-03
DAV: 19 -0.896767170162E+02 -0.34335E-03 -0.80393E-05 650 0.494E-02 0.117E-02
DAV: 20 -0.896767772642E+02 -0.60248E-04 -0.77309E-06 501 0.233E-02 0.753E-03
DAV: 21 -0.896768107701E+02 -0.33506E-04 -0.14104E-05 445 0.223E-02 0.224E-03
DAV: 22 -0.896768532537E+02 -0.42484E-04 -0.47992E-06 419 0.102E-02 0.168E-03
DAV: 23 -0.896768675925E+02 -0.14339E-04 -0.17409E-06 477 0.489E-03 0.157E-03
DAV: 24 -0.896768718590E+02 -0.42665E-05 -0.74351E-07 422 0.493E-03
1 F= -.89676872E+02 E0= -.89688802E+02 d E =0.357909E-01