iterations/neb0_image01_iter75_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 0.366448651787E+03 0.36645E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.341385134618E+01 -0.36303E+03 -0.34963E+03 839 0.195E+02
DAV: 3 -0.957590511787E+02 -0.99173E+02 -0.98832E+02 688 0.116E+02
DAV: 4 -0.100178372781E+03 -0.44193E+01 -0.44101E+01 693 0.278E+01
DAV: 5 -0.100265868666E+03 -0.87496E-01 -0.87445E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916751805786E+02 0.85907E+01 -0.31114E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908625186696E+02 0.81266E+00 -0.18100E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904813080552E+02 0.38121E+00 -0.56021E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.903968178183E+02 0.84490E-01 -0.13681E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903912005132E+02 0.56173E-02 -0.44786E-02 720 0.126E+00 0.314E-01
DAV: 11 -0.903949294989E+02 -0.37290E-02 -0.65380E-03 616 0.460E-01 0.153E-01
DAV: 12 -0.903984071579E+02 -0.34777E-02 -0.69648E-03 616 0.495E-01 0.124E-01
DAV: 13 -0.904013054588E+02 -0.28983E-02 -0.11889E-03 784 0.290E-01 0.791E-02
DAV: 14 -0.904041644254E+02 -0.28590E-02 -0.16341E-03 642 0.195E-01 0.584E-02
DAV: 15 -0.904064015745E+02 -0.22371E-02 -0.42914E-04 744 0.138E-01 0.407E-02
DAV: 16 -0.904075619503E+02 -0.11604E-02 -0.53211E-04 661 0.129E-01 0.334E-02
DAV: 17 -0.904084745661E+02 -0.91262E-03 -0.18372E-04 815 0.916E-02 0.185E-02
DAV: 18 -0.904086668661E+02 -0.19230E-03 -0.43279E-05 688 0.324E-02 0.137E-02
DAV: 19 -0.904089011216E+02 -0.23426E-03 -0.52943E-05 633 0.380E-02 0.581E-03
DAV: 20 -0.904089406835E+02 -0.39562E-04 -0.38512E-06 480 0.130E-02 0.504E-03
DAV: 21 -0.904089855103E+02 -0.44827E-04 -0.84711E-06 408 0.166E-02 0.180E-03
DAV: 22 -0.904089982082E+02 -0.12698E-04 -0.28872E-06 477 0.813E-03 0.177E-03
DAV: 23 -0.904090013872E+02 -0.31790E-05 -0.65979E-07 480 0.363E-03
1 F= -.90409001E+02 E0= -.90414113E+02 d E =0.153357E-01