iterations/neb0_image09_iter267_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 0.374180057575E+03 0.37418E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331552682601E+01 -0.37086E+03 -0.35820E+03 869 0.196E+02
DAV: 3 -0.968621988567E+02 -0.10018E+03 -0.99853E+02 669 0.117E+02
DAV: 4 -0.101296878881E+03 -0.44347E+01 -0.44243E+01 720 0.283E+01
DAV: 5 -0.101382875380E+03 -0.85996E-01 -0.85960E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926833599753E+02 0.86995E+01 -0.31051E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918111909471E+02 0.87217E+00 -0.17280E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914350272631E+02 0.37616E+00 -0.54253E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913541024536E+02 0.80925E-01 -0.13260E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913459508122E+02 0.81516E-02 -0.45107E-02 768 0.109E+00 0.303E-01
DAV: 11 -0.913504631860E+02 -0.45124E-02 -0.12861E-02 608 0.593E-01 0.138E-01
DAV: 12 -0.913535572796E+02 -0.30941E-02 -0.28888E-03 623 0.236E-01 0.112E-01
DAV: 13 -0.913571226635E+02 -0.35654E-02 -0.17078E-03 725 0.221E-01 0.417E-02
DAV: 14 -0.913604845238E+02 -0.33619E-02 -0.55082E-04 656 0.126E-01 0.314E-02
DAV: 15 -0.913618815463E+02 -0.13970E-02 -0.13398E-04 672 0.716E-02 0.308E-02
DAV: 16 -0.913631760782E+02 -0.12945E-02 -0.32832E-04 645 0.901E-02 0.209E-02
DAV: 17 -0.913633684104E+02 -0.19233E-03 -0.46181E-05 664 0.517E-02 0.117E-02
DAV: 18 -0.913636449988E+02 -0.27659E-03 -0.55854E-05 618 0.340E-02 0.102E-02
DAV: 19 -0.913637112012E+02 -0.66202E-04 -0.66301E-06 488 0.186E-02 0.497E-03
DAV: 20 -0.913637462841E+02 -0.35083E-04 -0.18387E-05 440 0.256E-02 0.479E-03
DAV: 21 -0.913637568521E+02 -0.10568E-04 -0.26641E-06 504 0.119E-02 0.310E-03
DAV: 22 -0.913637628551E+02 -0.60030E-05 -0.42762E-06 413 0.126E-02
1 F= -.91363763E+02 E0= -.91368578E+02 d E =0.144441E-01