iterations/neb0_image03_iter280_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 0.363445671843E+03 0.36345E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.824641181632E+00 -0.36262E+03 -0.35042E+03 853 0.195E+02
DAV: 3 -0.960900924700E+02 -0.96915E+02 -0.96614E+02 669 0.115E+02
DAV: 4 -0.100331620853E+03 -0.42415E+01 -0.42318E+01 712 0.277E+01
DAV: 5 -0.100413582804E+03 -0.81962E-01 -0.81941E-01 744 0.346E+00 0.223E+01
DAV: 6 -0.917194643435E+02 0.86941E+01 -0.31368E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908771483283E+02 0.84232E+00 -0.17998E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904852010575E+02 0.39195E+00 -0.55989E-01 696 0.429E+00 0.169E+00
DAV: 9 -0.903951137368E+02 0.90087E-01 -0.13564E-01 712 0.169E+00 0.439E-01
DAV: 10 -0.903890615052E+02 0.60522E-02 -0.47072E-02 720 0.122E+00 0.334E-01
DAV: 11 -0.903928292246E+02 -0.37677E-02 -0.67398E-03 632 0.605E-01 0.123E-01
DAV: 12 -0.903964646052E+02 -0.36354E-02 -0.63906E-03 613 0.377E-01 0.126E-01
DAV: 13 -0.904004984585E+02 -0.40339E-02 -0.16835E-03 834 0.310E-01 0.843E-02
DAV: 14 -0.904036763017E+02 -0.31778E-02 -0.11296E-03 645 0.152E-01 0.581E-02
DAV: 15 -0.904058801806E+02 -0.22039E-02 -0.36686E-04 688 0.101E-01 0.310E-02
DAV: 16 -0.904072870476E+02 -0.14069E-02 -0.39112E-04 647 0.105E-01 0.262E-02
DAV: 17 -0.904079515450E+02 -0.66450E-03 -0.99025E-05 669 0.616E-02 0.128E-02
DAV: 18 -0.904082984866E+02 -0.34694E-03 -0.92845E-05 650 0.473E-02 0.123E-02
DAV: 19 -0.904083504731E+02 -0.51987E-04 -0.56229E-06 512 0.202E-02 0.688E-03
DAV: 20 -0.904084230329E+02 -0.72560E-04 -0.33492E-05 540 0.329E-02 0.722E-03
DAV: 21 -0.904084454151E+02 -0.22382E-04 -0.42644E-06 472 0.173E-02 0.335E-03
DAV: 22 -0.904084566379E+02 -0.11223E-04 -0.66263E-06 440 0.140E-02 0.204E-03
DAV: 23 -0.904084606542E+02 -0.40164E-05 -0.82766E-07 472 0.592E-03
1 F= -.90408461E+02 E0= -.90416436E+02 d E =0.239259E-01