./iterations/neb0_image05_iter141_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 0.367298488757E+03 0.36730E+03 -0.14335E+04 640 0.799E+02
DAV: 2 0.269836300546E+01 -0.36460E+03 -0.35155E+03 874 0.193E+02
DAV: 3 -0.944682119926E+02 -0.97167E+02 -0.96789E+02 632 0.115E+02
DAV: 4 -0.992313552562E+02 -0.47631E+01 -0.47503E+01 720 0.299E+01
DAV: 5 -0.993316213756E+02 -0.10027E+00 -0.10022E+00 728 0.384E+00 0.221E+01
DAV: 6 -0.908183420406E+02 0.85133E+01 -0.29954E+01 677 0.296E+01 0.115E+01
DAV: 7 -0.899964687976E+02 0.82187E+00 -0.18102E+00 720 0.654E+00 0.476E+00
DAV: 8 -0.896202768610E+02 0.37619E+00 -0.54929E-01 712 0.436E+00 0.174E+00
DAV: 9 -0.895286405202E+02 0.91636E-01 -0.13662E-01 736 0.187E+00 0.547E-01
DAV: 10 -0.895173387459E+02 0.11302E-01 -0.26485E-02 720 0.834E-01 0.325E-01
DAV: 11 -0.895171025099E+02 0.23624E-03 -0.10451E-02 717 0.490E-01 0.181E-01
DAV: 12 -0.895200945957E+02 -0.29921E-02 -0.32767E-03 639 0.368E-01 0.101E-01
DAV: 13 -0.895231607031E+02 -0.30661E-02 -0.11601E-03 652 0.182E-01 0.857E-02
DAV: 14 -0.895279233482E+02 -0.47626E-02 -0.21653E-03 633 0.250E-01 0.521E-02
DAV: 15 -0.895292825037E+02 -0.13592E-02 -0.24396E-04 736 0.117E-01 0.340E-02
DAV: 16 -0.895317868711E+02 -0.25044E-02 -0.80393E-04 732 0.170E-01 0.396E-02
DAV: 17 -0.895323466713E+02 -0.55980E-03 -0.10684E-04 832 0.829E-02 0.227E-02
DAV: 18 -0.895330662450E+02 -0.71957E-03 -0.15476E-04 692 0.667E-02 0.725E-03
DAV: 19 -0.895334107239E+02 -0.34448E-03 -0.34507E-05 578 0.291E-02 0.964E-03
DAV: 20 -0.895335405464E+02 -0.12982E-03 -0.77706E-06 487 0.148E-02 0.707E-03
DAV: 21 -0.895336196463E+02 -0.79100E-04 -0.26262E-05 502 0.311E-02 0.433E-03
DAV: 22 -0.895336373752E+02 -0.17729E-04 -0.39460E-06 488 0.124E-02 0.392E-03
DAV: 23 -0.895336421103E+02 -0.47351E-05 -0.17883E-06 442 0.771E-03
1 F= -.89533642E+02 E0= -.89541686E+02 d E =0.241306E-01