iterations/neb0_image05_iter274_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 0.367491291769E+03 0.36749E+03 -0.14308E+04 624 0.799E+02
DAV: 2 0.429529422691E+01 -0.36320E+03 -0.35015E+03 839 0.196E+02
DAV: 3 -0.951884077695E+02 -0.99484E+02 -0.99129E+02 632 0.117E+02
DAV: 4 -0.100139446059E+03 -0.49510E+01 -0.49381E+01 704 0.307E+01
DAV: 5 -0.100237704249E+03 -0.98258E-01 -0.98207E-01 736 0.392E+00 0.222E+01
DAV: 6 -0.915865547290E+02 0.86511E+01 -0.31213E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.907602279902E+02 0.82633E+00 -0.17303E+00 712 0.626E+00 0.484E+00
DAV: 8 -0.903792123156E+02 0.38102E+00 -0.55513E-01 728 0.432E+00 0.168E+00
DAV: 9 -0.902914685723E+02 0.87744E-01 -0.12781E-01 720 0.165E+00 0.438E-01
DAV: 10 -0.902827359860E+02 0.87326E-02 -0.41930E-02 728 0.114E+00 0.323E-01
DAV: 11 -0.902852609816E+02 -0.25250E-02 -0.47805E-03 624 0.456E-01 0.164E-01
DAV: 12 -0.902886686563E+02 -0.34077E-02 -0.81620E-03 621 0.506E-01 0.147E-01
DAV: 13 -0.902906791271E+02 -0.20105E-02 -0.13867E-03 728 0.246E-01 0.968E-02
DAV: 14 -0.902952447824E+02 -0.45657E-02 -0.29368E-03 635 0.301E-01 0.706E-02
DAV: 15 -0.902980262415E+02 -0.27815E-02 -0.46437E-04 709 0.126E-01 0.569E-02
DAV: 16 -0.903002273413E+02 -0.22011E-02 -0.96443E-04 674 0.177E-01 0.306E-02
DAV: 17 -0.903009825285E+02 -0.75519E-03 -0.11755E-04 696 0.724E-02 0.247E-02
DAV: 18 -0.903016141424E+02 -0.63161E-03 -0.16245E-04 633 0.696E-02 0.132E-02
DAV: 19 -0.903017637255E+02 -0.14958E-03 -0.30165E-05 624 0.308E-02 0.896E-03
DAV: 20 -0.903018403726E+02 -0.76647E-04 -0.10755E-05 445 0.174E-02 0.557E-03
DAV: 21 -0.903018923544E+02 -0.51982E-04 -0.12123E-05 465 0.219E-02 0.282E-03
DAV: 22 -0.903019051458E+02 -0.12791E-04 -0.58439E-06 480 0.125E-02 0.398E-03
DAV: 23 -0.903019094691E+02 -0.43233E-05 -0.13777E-06 427 0.655E-03
1 F= -.90301909E+02 E0= -.90310156E+02 d E =0.247394E-01