iterations/neb0_image08_iter129_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 0.374343302232E+03 0.37434E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.394120864675E+01 -0.37040E+03 -0.35664E+03 861 0.196E+02
DAV: 3 -0.966637653716E+02 -0.10060E+03 -0.10026E+03 677 0.117E+02
DAV: 4 -0.101147693634E+03 -0.44839E+01 -0.44726E+01 704 0.280E+01
DAV: 5 -0.101237110905E+03 -0.89417E-01 -0.89381E-01 736 0.356E+00 0.226E+01
DAV: 6 -0.926213651427E+02 0.86157E+01 -0.30848E+01 714 0.302E+01 0.118E+01
DAV: 7 -0.917626847329E+02 0.85868E+00 -0.16975E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.913857530964E+02 0.37693E+00 -0.55642E-01 712 0.402E+00 0.162E+00
DAV: 9 -0.913039173736E+02 0.81836E-01 -0.13034E-01 720 0.156E+00 0.424E-01
DAV: 10 -0.912950765966E+02 0.88408E-02 -0.45456E-02 744 0.111E+00 0.302E-01
DAV: 11 -0.912999320113E+02 -0.48554E-02 -0.13866E-02 605 0.609E-01 0.157E-01
DAV: 12 -0.913027140716E+02 -0.27821E-02 -0.28377E-03 623 0.255E-01 0.107E-01
DAV: 13 -0.913061451147E+02 -0.34310E-02 -0.14819E-03 655 0.201E-01 0.477E-02
DAV: 14 -0.913096339214E+02 -0.34888E-02 -0.85335E-04 648 0.195E-01 0.392E-02
DAV: 15 -0.913108929599E+02 -0.12590E-02 -0.27591E-04 672 0.104E-01 0.390E-02
DAV: 16 -0.913119870556E+02 -0.10941E-02 -0.28511E-04 648 0.957E-02 0.159E-02
DAV: 17 -0.913126595594E+02 -0.67250E-03 -0.79440E-05 653 0.489E-02 0.145E-02
DAV: 18 -0.913129229619E+02 -0.26340E-03 -0.43201E-05 592 0.351E-02 0.110E-02
DAV: 19 -0.913130360989E+02 -0.11314E-03 -0.17898E-05 472 0.227E-02 0.573E-03
DAV: 20 -0.913130693948E+02 -0.33296E-04 -0.68579E-06 456 0.133E-02 0.313E-03
DAV: 21 -0.913130943801E+02 -0.24985E-04 -0.60477E-06 409 0.160E-02 0.216E-03
DAV: 22 -0.913130998936E+02 -0.55135E-05 -0.18680E-06 480 0.662E-03
1 F= -.91313100E+02 E0= -.91318092E+02 d E =0.149762E-01