./iterations/neb0_image06_iter142_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 0.371451327886E+03 0.37145E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.368361406802E+01 -0.36777E+03 -0.35566E+03 874 0.193E+02
DAV: 3 -0.959170662828E+02 -0.99601E+02 -0.99273E+02 693 0.116E+02
DAV: 4 -0.100366192010E+03 -0.44491E+01 -0.44367E+01 696 0.276E+01
DAV: 5 -0.100454541473E+03 -0.88349E-01 -0.88306E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.919241381898E+02 0.85304E+01 -0.30481E+01 693 0.302E+01 0.118E+01
DAV: 7 -0.910939046739E+02 0.83023E+00 -0.17048E+00 720 0.629E+00 0.481E+00
DAV: 8 -0.907142438215E+02 0.37966E+00 -0.55397E-01 720 0.411E+00 0.166E+00
DAV: 9 -0.906262044680E+02 0.88039E-01 -0.13060E-01 720 0.164E+00 0.427E-01
DAV: 10 -0.906163416782E+02 0.98628E-02 -0.34402E-02 744 0.935E-01 0.281E-01
DAV: 11 -0.906199949738E+02 -0.36533E-02 -0.84850E-03 613 0.483E-01 0.137E-01
DAV: 12 -0.906225870428E+02 -0.25921E-02 -0.18713E-03 650 0.265E-01 0.847E-02
DAV: 13 -0.906266573512E+02 -0.40703E-02 -0.17125E-03 633 0.202E-01 0.756E-02
DAV: 14 -0.906293833404E+02 -0.27260E-02 -0.93847E-04 744 0.202E-01 0.297E-02
DAV: 15 -0.906317830774E+02 -0.23997E-02 -0.31912E-04 621 0.861E-02 0.373E-02
DAV: 16 -0.906332619498E+02 -0.14789E-02 -0.23157E-04 725 0.907E-02 0.205E-02
DAV: 17 -0.906340994148E+02 -0.83747E-03 -0.14900E-04 645 0.634E-02 0.147E-02
DAV: 18 -0.906342930375E+02 -0.19362E-03 -0.25494E-05 576 0.318E-02 0.713E-03
DAV: 19 -0.906344702646E+02 -0.17723E-03 -0.23896E-05 489 0.210E-02 0.396E-03
DAV: 20 -0.906345001747E+02 -0.29910E-04 -0.29234E-06 504 0.114E-02 0.192E-03
DAV: 21 -0.906345324927E+02 -0.32318E-04 -0.51011E-06 398 0.114E-02 0.214E-03
DAV: 22 -0.906345394740E+02 -0.69813E-05 -0.12757E-06 453 0.661E-03
1 F= -.90634539E+02 E0= -.90638589E+02 d E =0.121477E-01