iterations/neb0_image02_iter19_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 0.364944550946E+03 0.36494E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.323647865403E+01 -0.36171E+03 -0.34849E+03 847 0.195E+02
DAV: 3 -0.952099413131E+02 -0.98446E+02 -0.98109E+02 672 0.116E+02
DAV: 4 -0.997790873842E+02 -0.45691E+01 -0.45570E+01 712 0.283E+01
DAV: 5 -0.998701163324E+02 -0.91029E-01 -0.90978E-01 736 0.357E+00 0.220E+01
DAV: 6 -0.913198598036E+02 0.85503E+01 -0.30836E+01 712 0.298E+01 0.115E+01
DAV: 7 -0.905154290363E+02 0.80443E+00 -0.17957E+00 704 0.643E+00 0.482E+00
DAV: 8 -0.901316490032E+02 0.38378E+00 -0.59530E-01 720 0.448E+00 0.166E+00
DAV: 9 -0.900452489163E+02 0.86400E-01 -0.13673E-01 720 0.165E+00 0.442E-01
DAV: 10 -0.900381527524E+02 0.70962E-02 -0.37367E-02 728 0.115E+00 0.301E-01
DAV: 11 -0.900419360065E+02 -0.37833E-02 -0.61345E-03 608 0.426E-01 0.155E-01
DAV: 12 -0.900451546813E+02 -0.32187E-02 -0.56384E-03 632 0.456E-01 0.115E-01
DAV: 13 -0.900481093557E+02 -0.29547E-02 -0.92904E-04 720 0.271E-01 0.773E-02
DAV: 14 -0.900512008455E+02 -0.30915E-02 -0.18733E-03 637 0.213E-01 0.589E-02
DAV: 15 -0.900531858679E+02 -0.19850E-02 -0.44035E-04 920 0.162E-01 0.242E-02
DAV: 16 -0.900546594089E+02 -0.14735E-02 -0.29626E-04 677 0.836E-02 0.289E-02
DAV: 17 -0.900555474787E+02 -0.88807E-03 -0.94540E-05 680 0.511E-02 0.201E-02
DAV: 18 -0.900558723981E+02 -0.32492E-03 -0.17880E-04 672 0.840E-02 0.160E-02
DAV: 19 -0.900559697831E+02 -0.97385E-04 -0.19847E-05 536 0.335E-02 0.125E-02
DAV: 20 -0.900560324016E+02 -0.62619E-04 -0.30048E-05 570 0.277E-02 0.371E-03
DAV: 21 -0.900560456826E+02 -0.13281E-04 -0.25659E-06 504 0.880E-03 0.254E-03
DAV: 22 -0.900560614236E+02 -0.15741E-04 -0.23422E-06 423 0.781E-03 0.215E-03
DAV: 23 -0.900560664402E+02 -0.50166E-05 -0.58608E-07 488 0.650E-03
1 F= -.90056066E+02 E0= -.90062237E+02 d E =0.185125E-01