./iterations/neb0_image06_iter286_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 0.375322222963E+03 0.37532E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.617588194634E+01 -0.36915E+03 -0.35664E+03 853 0.195E+02
DAV: 3 -0.944459634944E+02 -0.10062E+03 -0.10022E+03 669 0.117E+02
DAV: 4 -0.990747058851E+02 -0.46287E+01 -0.46107E+01 720 0.287E+01
DAV: 5 -0.991674358510E+02 -0.92730E-01 -0.92674E-01 704 0.366E+00 0.223E+01
DAV: 6 -0.907648206474E+02 0.84026E+01 -0.29700E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.899272504053E+02 0.83757E+00 -0.16567E+00 712 0.634E+00 0.482E+00
DAV: 8 -0.895369958018E+02 0.39025E+00 -0.59182E-01 712 0.424E+00 0.158E+00
DAV: 9 -0.894506292402E+02 0.86367E-01 -0.12273E-01 712 0.159E+00 0.436E-01
DAV: 10 -0.894403895134E+02 0.10240E-01 -0.42592E-02 712 0.102E+00 0.309E-01
DAV: 11 -0.894444546556E+02 -0.40651E-02 -0.11731E-02 608 0.606E-01 0.167E-01
DAV: 12 -0.894458428848E+02 -0.13882E-02 -0.28045E-03 672 0.314E-01 0.946E-02
DAV: 13 -0.894504907369E+02 -0.46479E-02 -0.25628E-03 625 0.252E-01 0.757E-02
DAV: 14 -0.894527315892E+02 -0.22409E-02 -0.64076E-04 760 0.211E-01 0.387E-02
DAV: 15 -0.894558093241E+02 -0.30777E-02 -0.70502E-04 622 0.132E-01 0.363E-02
DAV: 16 -0.894575045149E+02 -0.16952E-02 -0.26211E-04 685 0.102E-01 0.108E-02
DAV: 17 -0.894585038267E+02 -0.99931E-03 -0.16597E-04 677 0.599E-02 0.203E-02
DAV: 18 -0.894587645183E+02 -0.26069E-03 -0.23709E-05 544 0.342E-02 0.982E-03
DAV: 19 -0.894589178134E+02 -0.15330E-03 -0.43982E-05 640 0.355E-02 0.580E-03
DAV: 20 -0.894589677448E+02 -0.49931E-04 -0.46447E-06 458 0.164E-02 0.239E-03
DAV: 21 -0.894589962200E+02 -0.28475E-04 -0.34707E-06 448 0.776E-03 0.115E-03
DAV: 22 -0.894590103808E+02 -0.14161E-04 -0.17441E-06 412 0.444E-03 0.548E-04
DAV: 23 -0.894590129366E+02 -0.25558E-05 -0.55423E-07 512 0.302E-03
1 F= -.89459013E+02 E0= -.89464763E+02 d E =0.172501E-01