iterations/neb0_image05_iter239_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 0.364391558963E+03 0.36439E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.331040266182E+01 -0.36108E+03 -0.34689E+03 850 0.194E+02
DAV: 3 -0.952151484052E+02 -0.98526E+02 -0.98175E+02 680 0.115E+02
DAV: 4 -0.997680702315E+02 -0.45529E+01 -0.45405E+01 688 0.281E+01
DAV: 5 -0.998592258606E+02 -0.91156E-01 -0.91096E-01 736 0.355E+00 0.218E+01
DAV: 6 -0.914469338811E+02 0.84123E+01 -0.30763E+01 712 0.298E+01 0.115E+01
DAV: 7 -0.906846607786E+02 0.76227E+00 -0.17631E+00 728 0.634E+00 0.479E+00
DAV: 8 -0.903170840349E+02 0.36758E+00 -0.53339E-01 720 0.428E+00 0.169E+00
DAV: 9 -0.902297046638E+02 0.87379E-01 -0.13187E-01 728 0.168E+00 0.433E-01
DAV: 10 -0.902224096215E+02 0.72950E-02 -0.42666E-02 720 0.117E+00 0.317E-01
DAV: 11 -0.902249465527E+02 -0.25369E-02 -0.66845E-03 608 0.626E-01 0.122E-01
DAV: 12 -0.902276538850E+02 -0.27073E-02 -0.75327E-03 628 0.491E-01 0.155E-01
DAV: 13 -0.902297085294E+02 -0.20546E-02 -0.22247E-03 877 0.366E-01 0.773E-02
DAV: 14 -0.902335211233E+02 -0.38126E-02 -0.16619E-03 625 0.196E-01 0.834E-02
DAV: 15 -0.902354751081E+02 -0.19540E-02 -0.36935E-04 776 0.129E-01 0.499E-02
DAV: 16 -0.902375974912E+02 -0.21224E-02 -0.98647E-04 664 0.185E-01 0.408E-02
DAV: 17 -0.902383350863E+02 -0.73760E-03 -0.13048E-04 824 0.834E-02 0.248E-02
DAV: 18 -0.902387063207E+02 -0.37123E-03 -0.12178E-04 642 0.664E-02 0.860E-03
DAV: 19 -0.902390462529E+02 -0.33993E-03 -0.36882E-05 664 0.292E-02 0.106E-02
DAV: 20 -0.902391194124E+02 -0.73160E-04 -0.10937E-05 512 0.289E-02 0.445E-03
DAV: 21 -0.902391833466E+02 -0.63934E-04 -0.26429E-05 510 0.265E-02 0.803E-03
DAV: 22 -0.902392045301E+02 -0.21183E-04 -0.32894E-06 480 0.158E-02 0.406E-03
DAV: 23 -0.902392163097E+02 -0.11780E-04 -0.99438E-06 420 0.185E-02 0.332E-03
DAV: 24 -0.902392187807E+02 -0.24709E-05 -0.13208E-06 488 0.105E-02
1 F= -.90239219E+02 E0= -.90247988E+02 d E =0.263087E-01