iterations/neb0_image04_iter289_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 0.365077877260E+03 0.36508E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.138244433941E+00 -0.36494E+03 -0.35428E+03 869 0.195E+02
DAV: 3 -0.960077051138E+02 -0.96146E+02 -0.95851E+02 656 0.115E+02
DAV: 4 -0.100317792113E+03 -0.43101E+01 -0.43025E+01 720 0.280E+01
DAV: 5 -0.100402710217E+03 -0.84918E-01 -0.84892E-01 728 0.349E+00 0.223E+01
DAV: 6 -0.916632309346E+02 0.87395E+01 -0.31626E+01 680 0.301E+01 0.117E+01
DAV: 7 -0.908330205092E+02 0.83021E+00 -0.18240E+00 720 0.646E+00 0.484E+00
DAV: 8 -0.904287066446E+02 0.40431E+00 -0.53484E-01 704 0.443E+00 0.180E+00
DAV: 9 -0.903364959338E+02 0.92211E-01 -0.14919E-01 704 0.216E+00 0.557E-01
DAV: 10 -0.903227632719E+02 0.13733E-01 -0.36008E-02 720 0.101E+00 0.350E-01
DAV: 11 -0.903250353567E+02 -0.22721E-02 -0.13398E-02 680 0.688E-01 0.299E-01
DAV: 12 -0.903263700111E+02 -0.13347E-02 -0.37380E-03 744 0.626E-01 0.147E-01
DAV: 13 -0.903297975101E+02 -0.34275E-02 -0.33808E-03 620 0.384E-01 0.979E-02
DAV: 14 -0.903329104195E+02 -0.31129E-02 -0.13282E-03 631 0.195E-01 0.648E-02
DAV: 15 -0.903362949120E+02 -0.33845E-02 -0.11212E-03 650 0.192E-01 0.548E-02
DAV: 16 -0.903380644066E+02 -0.17695E-02 -0.33135E-04 728 0.153E-01 0.219E-02
DAV: 17 -0.903395056074E+02 -0.14412E-02 -0.27921E-04 644 0.772E-02 0.239E-02
DAV: 18 -0.903400244614E+02 -0.51885E-03 -0.55114E-05 744 0.544E-02 0.139E-02
DAV: 19 -0.903403651712E+02 -0.34071E-03 -0.10385E-04 643 0.597E-02 0.144E-02
DAV: 20 -0.903404232463E+02 -0.58075E-04 -0.11427E-05 520 0.274E-02 0.101E-02
DAV: 21 -0.903404857469E+02 -0.62501E-04 -0.33355E-05 528 0.321E-02 0.642E-03
DAV: 22 -0.903405074151E+02 -0.21668E-04 -0.45490E-06 488 0.181E-02 0.207E-03
DAV: 23 -0.903405222641E+02 -0.14849E-04 -0.36803E-06 406 0.861E-03 0.117E-03
DAV: 24 -0.903405254734E+02 -0.32093E-05 -0.51584E-07 496 0.435E-03
1 F= -.90340525E+02 E0= -.90348799E+02 d E =0.248204E-01