./iterations/neb0_image04_iter3_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 0.363381767809E+03 0.36338E+03 -0.14218E+04 624 0.799E+02
DAV: 2 0.661400826764E+01 -0.35677E+03 -0.34432E+03 850 0.193E+02
DAV: 3 -0.913819062404E+02 -0.97996E+02 -0.97450E+02 701 0.115E+02
DAV: 4 -0.959570445733E+02 -0.45751E+01 -0.45586E+01 704 0.274E+01
DAV: 5 -0.960556628609E+02 -0.98618E-01 -0.98576E-01 736 0.352E+00 0.221E+01
DAV: 6 -0.874907131047E+02 0.85649E+01 -0.31055E+01 690 0.302E+01 0.115E+01
DAV: 7 -0.866440104578E+02 0.84670E+00 -0.17564E+00 720 0.730E+00 0.491E+00
DAV: 8 -0.862577304870E+02 0.38628E+00 -0.76448E-01 696 0.473E+00 0.163E+00
DAV: 9 -0.861920873926E+02 0.65643E-01 -0.13485E-01 728 0.176E+00 0.524E-01
DAV: 10 -0.861836793202E+02 0.84081E-02 -0.33416E-02 752 0.105E+00 0.285E-01
DAV: 11 -0.861847033265E+02 -0.10240E-02 -0.62313E-03 669 0.461E-01 0.183E-01
DAV: 12 -0.861883201811E+02 -0.36169E-02 -0.74988E-03 660 0.463E-01 0.130E-01
DAV: 13 -0.861926755341E+02 -0.43554E-02 -0.20887E-03 753 0.304E-01 0.721E-02
DAV: 14 -0.861952865573E+02 -0.26110E-02 -0.14370E-03 685 0.179E-01 0.641E-02
DAV: 15 -0.861969120702E+02 -0.16255E-02 -0.64192E-04 669 0.160E-01 0.335E-02
DAV: 16 -0.861984770054E+02 -0.15649E-02 -0.29833E-04 701 0.100E-01 0.272E-02
DAV: 17 -0.861992462207E+02 -0.76922E-03 -0.92994E-05 760 0.583E-02 0.143E-02
DAV: 18 -0.861998216272E+02 -0.57541E-03 -0.10698E-04 693 0.565E-02 0.114E-02
DAV: 19 -0.862000551351E+02 -0.23351E-03 -0.18115E-05 488 0.272E-02 0.722E-03
DAV: 20 -0.862001570531E+02 -0.10192E-03 -0.38219E-05 623 0.310E-02 0.616E-03
DAV: 21 -0.862001721010E+02 -0.15048E-04 -0.39137E-06 520 0.184E-02 0.199E-03
DAV: 22 -0.862001961846E+02 -0.24084E-04 -0.62433E-06 409 0.116E-02 0.210E-03
DAV: 23 -0.862002033521E+02 -0.71675E-05 -0.11836E-06 474 0.429E-03
1 F= -.86200203E+02 E0= -.86204072E+02 d E =0.116048E-01