iterations/neb0_image01_iter84_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 0.366495615912E+03 0.36650E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.343231773633E+01 -0.36306E+03 -0.34968E+03 839 0.195E+02
DAV: 3 -0.957583402334E+02 -0.99191E+02 -0.98851E+02 688 0.116E+02
DAV: 4 -0.100179701923E+03 -0.44214E+01 -0.44122E+01 685 0.279E+01
DAV: 5 -0.100267541518E+03 -0.87840E-01 -0.87787E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.916760753698E+02 0.85915E+01 -0.31082E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908605073971E+02 0.81557E+00 -0.18114E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904792106655E+02 0.38130E+00 -0.56335E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.903951942022E+02 0.84016E-01 -0.13631E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903896634194E+02 0.55308E-02 -0.44584E-02 720 0.125E+00 0.313E-01
DAV: 11 -0.903934152832E+02 -0.37519E-02 -0.64579E-03 616 0.459E-01 0.151E-01
DAV: 12 -0.903969235746E+02 -0.35083E-02 -0.69740E-03 613 0.496E-01 0.125E-01
DAV: 13 -0.903997908266E+02 -0.28673E-02 -0.12226E-03 784 0.294E-01 0.785E-02
DAV: 14 -0.904026593940E+02 -0.28686E-02 -0.16308E-03 642 0.193E-01 0.587E-02
DAV: 15 -0.904048641722E+02 -0.22048E-02 -0.42245E-04 744 0.137E-01 0.410E-02
DAV: 16 -0.904060459157E+02 -0.11817E-02 -0.55117E-04 661 0.132E-01 0.337E-02
DAV: 17 -0.904069520162E+02 -0.90610E-03 -0.18201E-04 820 0.914E-02 0.185E-02
DAV: 18 -0.904071452858E+02 -0.19327E-03 -0.43128E-05 696 0.322E-02 0.134E-02
DAV: 19 -0.904073808077E+02 -0.23552E-03 -0.55787E-05 633 0.392E-02 0.634E-03
DAV: 20 -0.904074139200E+02 -0.33112E-04 -0.37728E-06 488 0.131E-02 0.550E-03
DAV: 21 -0.904074585385E+02 -0.44618E-04 -0.91826E-06 403 0.179E-02 0.158E-03
DAV: 22 -0.904074707636E+02 -0.12225E-04 -0.29861E-06 477 0.834E-03 0.194E-03
DAV: 23 -0.904074738576E+02 -0.30941E-05 -0.64368E-07 488 0.356E-03
1 F= -.90407474E+02 E0= -.90412601E+02 d E =0.153814E-01