iterations/neb0_image07_iter214_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 0.370863263785E+03 0.37086E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.363426942006E+01 -0.36723E+03 -0.35518E+03 869 0.194E+02
DAV: 3 -0.965924432137E+02 -0.10023E+03 -0.99930E+02 696 0.116E+02
DAV: 4 -0.101079413504E+03 -0.44870E+01 -0.44750E+01 704 0.276E+01
DAV: 5 -0.101169414897E+03 -0.90001E-01 -0.89947E-01 736 0.351E+00 0.226E+01
DAV: 6 -0.925722682376E+02 0.85971E+01 -0.30732E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917275361850E+02 0.84473E+00 -0.17408E+00 712 0.620E+00 0.479E+00
DAV: 8 -0.913554159222E+02 0.37212E+00 -0.54067E-01 736 0.397E+00 0.162E+00
DAV: 9 -0.912741914078E+02 0.81225E-01 -0.12952E-01 720 0.155E+00 0.420E-01
DAV: 10 -0.912655324392E+02 0.86590E-02 -0.40400E-02 736 0.103E+00 0.287E-01
DAV: 11 -0.912699942720E+02 -0.44618E-02 -0.11560E-02 616 0.560E-01 0.145E-01
DAV: 12 -0.912728380816E+02 -0.28438E-02 -0.23389E-03 632 0.243E-01 0.937E-02
DAV: 13 -0.912767718627E+02 -0.39338E-02 -0.17532E-03 634 0.210E-01 0.514E-02
DAV: 14 -0.912794744711E+02 -0.27026E-02 -0.62986E-04 773 0.194E-01 0.368E-02
DAV: 15 -0.912814940150E+02 -0.20195E-02 -0.39903E-04 650 0.100E-01 0.330E-02
DAV: 16 -0.912823448606E+02 -0.85085E-03 -0.15108E-04 760 0.803E-02 0.128E-02
DAV: 17 -0.912831488575E+02 -0.80400E-03 -0.12116E-04 717 0.567E-02 0.156E-02
DAV: 18 -0.912833462249E+02 -0.19737E-03 -0.15128E-05 496 0.273E-02 0.103E-02
DAV: 19 -0.912834875247E+02 -0.14130E-03 -0.54259E-05 618 0.424E-02 0.862E-03
DAV: 20 -0.912835171440E+02 -0.29619E-04 -0.63634E-06 504 0.233E-02 0.408E-03
DAV: 21 -0.912835338882E+02 -0.16744E-04 -0.45551E-06 429 0.108E-02 0.175E-03
DAV: 22 -0.912835512974E+02 -0.17409E-04 -0.27087E-06 422 0.847E-03 0.704E-04
DAV: 23 -0.912835534532E+02 -0.21558E-05 -0.10784E-06 488 0.483E-03
1 F= -.91283553E+02 E0= -.91288780E+02 d E =0.156796E-01