iterations/neb0_image03_iter237_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 0.363577189862E+03 0.36358E+03 -0.14327E+04 632 0.799E+02
DAV: 2 -0.280977749132E+00 -0.36386E+03 -0.35427E+03 858 0.195E+02
DAV: 3 -0.960915197032E+02 -0.95811E+02 -0.95506E+02 664 0.115E+02
DAV: 4 -0.100323111206E+03 -0.42316E+01 -0.42212E+01 712 0.277E+01
DAV: 5 -0.100405907898E+03 -0.82797E-01 -0.82767E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.917306128254E+02 0.86753E+01 -0.31211E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908857723537E+02 0.84484E+00 -0.18043E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904912144050E+02 0.39456E+00 -0.56150E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903989281850E+02 0.92286E-01 -0.13257E-01 712 0.168E+00 0.437E-01
DAV: 10 -0.903919468034E+02 0.69814E-02 -0.50560E-02 704 0.124E+00 0.342E-01
DAV: 11 -0.903965181941E+02 -0.45714E-02 -0.98115E-03 672 0.667E-01 0.119E-01
DAV: 12 -0.903994734680E+02 -0.29553E-02 -0.51698E-03 621 0.326E-01 0.124E-01
DAV: 13 -0.904035187825E+02 -0.40453E-02 -0.19314E-03 882 0.326E-01 0.863E-02
DAV: 14 -0.904065979738E+02 -0.30792E-02 -0.10939E-03 664 0.153E-01 0.589E-02
DAV: 15 -0.904087305218E+02 -0.21325E-02 -0.34970E-04 656 0.957E-02 0.310E-02
DAV: 16 -0.904102995854E+02 -0.15691E-02 -0.37993E-04 672 0.998E-02 0.249E-02
DAV: 17 -0.904110787264E+02 -0.77914E-03 -0.13946E-04 693 0.724E-02 0.103E-02
DAV: 18 -0.904113640940E+02 -0.28537E-03 -0.61070E-05 680 0.367E-02 0.994E-03
DAV: 19 -0.904114059384E+02 -0.41844E-04 -0.42760E-06 504 0.159E-02 0.494E-03
DAV: 20 -0.904114902623E+02 -0.84324E-04 -0.30243E-05 546 0.302E-02 0.785E-03
DAV: 21 -0.904115052642E+02 -0.15002E-04 -0.31508E-06 496 0.147E-02 0.466E-03
DAV: 22 -0.904115119317E+02 -0.66676E-05 -0.56305E-06 464 0.133E-02
1 F= -.90411512E+02 E0= -.90418748E+02 d E =0.217067E-01