iterations/neb0_image08_iter114_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 0.376007176853E+03 0.37601E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.343092662813E+01 -0.37258E+03 -0.35963E+03 869 0.196E+02
DAV: 3 -0.968033642711E+02 -0.10023E+03 -0.99896E+02 677 0.117E+02
DAV: 4 -0.101207865655E+03 -0.44045E+01 -0.43940E+01 704 0.278E+01
DAV: 5 -0.101294542054E+03 -0.86676E-01 -0.86643E-01 736 0.351E+00 0.228E+01
DAV: 6 -0.926247243747E+02 0.86698E+01 -0.30818E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917496326895E+02 0.87509E+00 -0.17180E+00 720 0.616E+00 0.480E+00
DAV: 8 -0.913707826361E+02 0.37885E+00 -0.55054E-01 696 0.400E+00 0.163E+00
DAV: 9 -0.912876939823E+02 0.83089E-01 -0.13221E-01 712 0.157E+00 0.425E-01
DAV: 10 -0.912788078619E+02 0.88861E-02 -0.47560E-02 760 0.114E+00 0.309E-01
DAV: 11 -0.912834788763E+02 -0.46710E-02 -0.14426E-02 616 0.627E-01 0.154E-01
DAV: 12 -0.912862798484E+02 -0.28010E-02 -0.30061E-03 606 0.248E-01 0.121E-01
DAV: 13 -0.912900115733E+02 -0.37317E-02 -0.18487E-03 698 0.236E-01 0.461E-02
DAV: 14 -0.912933075425E+02 -0.32960E-02 -0.60481E-04 656 0.142E-01 0.343E-02
DAV: 15 -0.912949129324E+02 -0.16054E-02 -0.19015E-04 664 0.804E-02 0.397E-02
DAV: 16 -0.912961341889E+02 -0.12213E-02 -0.36177E-04 650 0.100E-01 0.186E-02
DAV: 17 -0.912964949189E+02 -0.36073E-03 -0.54507E-05 680 0.520E-02 0.150E-02
DAV: 18 -0.912967423436E+02 -0.24742E-03 -0.41902E-05 573 0.314E-02 0.119E-02
DAV: 19 -0.912968517751E+02 -0.10943E-03 -0.12187E-05 472 0.187E-02 0.545E-03
DAV: 20 -0.912968843337E+02 -0.32559E-04 -0.96482E-06 456 0.182E-02 0.222E-03
DAV: 21 -0.912969058992E+02 -0.21566E-04 -0.45276E-06 433 0.111E-02 0.302E-03
DAV: 22 -0.912969117007E+02 -0.58015E-05 -0.10602E-06 437 0.464E-03
1 F= -.91296912E+02 E0= -.91301848E+02 d E =0.148102E-01