./iterations/neb0_image06_iter36_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 0.374435019088E+03 0.37444E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.446175487079E+01 -0.36997E+03 -0.35697E+03 858 0.195E+02
DAV: 3 -0.951658681749E+02 -0.99628E+02 -0.99289E+02 656 0.117E+02
DAV: 4 -0.996613972688E+02 -0.44955E+01 -0.44833E+01 728 0.290E+01
DAV: 5 -0.997520410094E+02 -0.90644E-01 -0.90618E-01 720 0.366E+00 0.226E+01
DAV: 6 -0.911115469094E+02 0.86405E+01 -0.30641E+01 679 0.305E+01 0.117E+01
DAV: 7 -0.902606266005E+02 0.85092E+00 -0.16848E+00 720 0.643E+00 0.477E+00
DAV: 8 -0.898841437353E+02 0.37648E+00 -0.53982E-01 688 0.412E+00 0.167E+00
DAV: 9 -0.897949911269E+02 0.89153E-01 -0.12572E-01 720 0.169E+00 0.455E-01
DAV: 10 -0.897849318990E+02 0.10059E-01 -0.33462E-02 720 0.907E-01 0.303E-01
DAV: 11 -0.897898197884E+02 -0.48879E-02 -0.20541E-02 669 0.105E+00 0.260E-01
DAV: 12 -0.897892574892E+02 0.56230E-03 -0.55925E-03 720 0.518E-01 0.159E-01
DAV: 13 -0.897925761596E+02 -0.33187E-02 -0.54481E-03 614 0.435E-01 0.118E-01
DAV: 14 -0.897960509437E+02 -0.34748E-02 -0.16664E-03 642 0.195E-01 0.885E-02
DAV: 15 -0.897987042094E+02 -0.26533E-02 -0.64836E-04 704 0.178E-01 0.336E-02
DAV: 16 -0.898009030455E+02 -0.21988E-02 -0.51230E-04 658 0.118E-01 0.348E-02
DAV: 17 -0.898017684210E+02 -0.86538E-03 -0.46768E-05 680 0.397E-02 0.250E-02
DAV: 18 -0.898025685065E+02 -0.80009E-03 -0.19814E-04 635 0.817E-02 0.138E-02
DAV: 19 -0.898027460494E+02 -0.17754E-03 -0.30649E-05 624 0.411E-02 0.712E-03
DAV: 20 -0.898028327832E+02 -0.86734E-04 -0.14127E-05 469 0.182E-02 0.386E-03
DAV: 21 -0.898028601800E+02 -0.27397E-04 -0.24394E-06 498 0.935E-03 0.269E-03
DAV: 22 -0.898029046205E+02 -0.44441E-04 -0.74354E-06 403 0.144E-02 0.286E-03
DAV: 23 -0.898029075306E+02 -0.29101E-05 -0.12558E-06 512 0.671E-03
1 F= -.89802908E+02 E0= -.89811099E+02 d E =0.245746E-01