./iterations/neb0_image03_iter249_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 0.363293479818E+03 0.36329E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.937557426630E+00 -0.36236E+03 -0.35209E+03 842 0.195E+02
DAV: 3 -0.960503807940E+02 -0.96988E+02 -0.96679E+02 669 0.115E+02
DAV: 4 -0.100303097970E+03 -0.42527E+01 -0.42424E+01 712 0.277E+01
DAV: 5 -0.100385617005E+03 -0.82519E-01 -0.82492E-01 736 0.347E+00 0.223E+01
DAV: 6 -0.917191151040E+02 0.86665E+01 -0.31330E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908817791862E+02 0.83734E+00 -0.17919E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904906061870E+02 0.39117E+00 -0.55235E-01 704 0.425E+00 0.169E+00
DAV: 9 -0.903989453941E+02 0.91661E-01 -0.13271E-01 712 0.167E+00 0.434E-01
DAV: 10 -0.903924725407E+02 0.64729E-02 -0.47136E-02 704 0.119E+00 0.333E-01
DAV: 11 -0.903970692296E+02 -0.45967E-02 -0.85444E-03 624 0.641E-01 0.119E-01
DAV: 12 -0.903998951598E+02 -0.28259E-02 -0.45974E-03 632 0.318E-01 0.114E-01
DAV: 13 -0.904042807105E+02 -0.43856E-02 -0.16566E-03 759 0.274E-01 0.870E-02
DAV: 14 -0.904073001848E+02 -0.30195E-02 -0.10426E-03 664 0.147E-01 0.505E-02
DAV: 15 -0.904096129065E+02 -0.23127E-02 -0.38393E-04 669 0.993E-02 0.250E-02
DAV: 16 -0.904109625387E+02 -0.13496E-02 -0.23969E-04 669 0.758E-02 0.214E-02
DAV: 17 -0.904116307479E+02 -0.66821E-03 -0.97857E-05 704 0.571E-02 0.101E-02
DAV: 18 -0.904118553231E+02 -0.22458E-03 -0.43184E-05 624 0.334E-02 0.109E-02
DAV: 19 -0.904119183145E+02 -0.62991E-04 -0.97634E-06 472 0.239E-02 0.475E-03
DAV: 20 -0.904119907614E+02 -0.72447E-04 -0.18019E-05 490 0.220E-02 0.454E-03
DAV: 21 -0.904120270449E+02 -0.36284E-04 -0.62726E-06 477 0.186E-02 0.230E-03
DAV: 22 -0.904120345362E+02 -0.74913E-05 -0.24674E-06 528 0.740E-03
1 F= -.90412035E+02 E0= -.90419882E+02 d E =0.235429E-01