./iterations/neb0_image01_iter78_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 0.366827212318E+03 0.36683E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.345474395364E+01 -0.36337E+03 -0.34996E+03 839 0.195E+02
DAV: 3 -0.957519504992E+02 -0.99207E+02 -0.98866E+02 680 0.116E+02
DAV: 4 -0.100212914818E+03 -0.44610E+01 -0.44517E+01 693 0.283E+01
DAV: 5 -0.100300626038E+03 -0.87711E-01 -0.87661E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916752335548E+02 0.86254E+01 -0.31204E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908630411642E+02 0.81219E+00 -0.18194E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904821063462E+02 0.38093E+00 -0.55363E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903967685672E+02 0.85338E-01 -0.13724E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903912423482E+02 0.55262E-02 -0.46801E-02 736 0.127E+00 0.319E-01
DAV: 11 -0.903949909850E+02 -0.37486E-02 -0.68170E-03 616 0.483E-01 0.145E-01
DAV: 12 -0.903985649727E+02 -0.35740E-02 -0.72278E-03 616 0.490E-01 0.129E-01
DAV: 13 -0.904013359122E+02 -0.27709E-02 -0.14184E-03 848 0.310E-01 0.777E-02
DAV: 14 -0.904042113700E+02 -0.28755E-02 -0.14169E-03 634 0.181E-01 0.592E-02
DAV: 15 -0.904063718250E+02 -0.21605E-02 -0.41992E-04 672 0.122E-01 0.467E-02
DAV: 16 -0.904076873587E+02 -0.13155E-02 -0.75073E-04 661 0.160E-01 0.350E-02
DAV: 17 -0.904085298369E+02 -0.84248E-03 -0.17644E-04 821 0.931E-02 0.212E-02
DAV: 18 -0.904086902166E+02 -0.16038E-03 -0.40432E-05 712 0.323E-02 0.140E-02
DAV: 19 -0.904089423352E+02 -0.25212E-03 -0.58168E-05 636 0.383E-02 0.506E-03
DAV: 20 -0.904089702597E+02 -0.27924E-04 -0.53247E-06 480 0.149E-02 0.557E-03
DAV: 21 -0.904090043698E+02 -0.34110E-04 -0.55915E-06 420 0.145E-02 0.473E-03
DAV: 22 -0.904090275894E+02 -0.23220E-04 -0.44003E-06 477 0.116E-02 0.310E-03
DAV: 23 -0.904090302370E+02 -0.26476E-05 -0.36575E-06 520 0.108E-02
1 F= -.90409030E+02 E0= -.90414191E+02 d E =0.154837E-01