./iterations/neb0_image08_iter186_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 0.374372824299E+03 0.37437E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.359436602745E+01 -0.37078E+03 -0.35854E+03 863 0.196E+02
DAV: 3 -0.966768138840E+02 -0.10027E+03 -0.99967E+02 669 0.117E+02
DAV: 4 -0.101272436761E+03 -0.45956E+01 -0.45834E+01 728 0.287E+01
DAV: 5 -0.101362699508E+03 -0.90263E-01 -0.90208E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926653465482E+02 0.86974E+01 -0.30924E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917906341210E+02 0.87471E+00 -0.17261E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914148373665E+02 0.37580E+00 -0.54504E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913348900716E+02 0.79947E-01 -0.13091E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913268206214E+02 0.80695E-02 -0.44205E-02 744 0.109E+00 0.301E-01
DAV: 11 -0.913315599079E+02 -0.47393E-02 -0.13060E-02 605 0.594E-01 0.143E-01
DAV: 12 -0.913345484737E+02 -0.29886E-02 -0.27613E-03 630 0.246E-01 0.102E-01
DAV: 13 -0.913379554285E+02 -0.34070E-02 -0.15457E-03 639 0.202E-01 0.451E-02
DAV: 14 -0.913416698021E+02 -0.37144E-02 -0.10384E-03 679 0.215E-01 0.436E-02
DAV: 15 -0.913424015181E+02 -0.73172E-03 -0.23218E-04 712 0.101E-01 0.338E-02
DAV: 16 -0.913432597552E+02 -0.85824E-03 -0.20890E-04 701 0.859E-02 0.122E-02
DAV: 17 -0.913441398259E+02 -0.88007E-03 -0.90964E-05 656 0.429E-02 0.129E-02
DAV: 18 -0.913444203202E+02 -0.28049E-03 -0.28214E-05 616 0.214E-02 0.995E-03
DAV: 19 -0.913445454101E+02 -0.12509E-03 -0.29608E-05 576 0.318E-02 0.447E-03
DAV: 20 -0.913445643559E+02 -0.18946E-04 -0.38880E-06 520 0.126E-02 0.357E-03
DAV: 21 -0.913445777320E+02 -0.13376E-04 -0.27402E-06 410 0.886E-03 0.128E-03
DAV: 22 -0.913445859898E+02 -0.82578E-05 -0.11586E-06 445 0.457E-03
1 F= -.91344586E+02 E0= -.91349701E+02 d E =0.153462E-01