./iterations/neb0_image02_iter149_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 0.363655435974E+03 0.36366E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.275074651224E+01 -0.36090E+03 -0.34784E+03 845 0.195E+02
DAV: 3 -0.955986320123E+02 -0.98349E+02 -0.98014E+02 664 0.116E+02
DAV: 4 -0.100198360705E+03 -0.45997E+01 -0.45882E+01 720 0.286E+01
DAV: 5 -0.100288550814E+03 -0.90190E-01 -0.90155E-01 744 0.360E+00 0.222E+01
DAV: 6 -0.916723210360E+02 0.86162E+01 -0.30945E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908600736000E+02 0.81225E+00 -0.18448E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904786254150E+02 0.38145E+00 -0.55944E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903913839001E+02 0.87242E-01 -0.13701E-01 696 0.167E+00 0.431E-01
DAV: 10 -0.903855120863E+02 0.58718E-02 -0.50168E-02 704 0.130E+00 0.331E-01
DAV: 11 -0.903889328620E+02 -0.34208E-02 -0.74994E-03 616 0.539E-01 0.139E-01
DAV: 12 -0.903922671393E+02 -0.33343E-02 -0.80491E-03 632 0.482E-01 0.140E-01
DAV: 13 -0.903947586621E+02 -0.24915E-02 -0.20610E-03 901 0.367E-01 0.832E-02
DAV: 14 -0.903979103404E+02 -0.31517E-02 -0.14515E-03 642 0.181E-01 0.683E-02
DAV: 15 -0.903999634065E+02 -0.20531E-02 -0.37984E-04 669 0.109E-01 0.532E-02
DAV: 16 -0.904014400159E+02 -0.14766E-02 -0.94743E-04 664 0.181E-01 0.360E-02
DAV: 17 -0.904022661603E+02 -0.82614E-03 -0.14889E-04 672 0.819E-02 0.276E-02
DAV: 18 -0.904025311282E+02 -0.26497E-03 -0.82030E-05 664 0.434E-02 0.115E-02
DAV: 19 -0.904027106940E+02 -0.17957E-03 -0.51321E-05 634 0.367E-02 0.768E-03
DAV: 20 -0.904027291171E+02 -0.18423E-04 -0.52223E-06 512 0.184E-02 0.678E-03
DAV: 21 -0.904027575621E+02 -0.28445E-04 -0.62986E-06 434 0.141E-02 0.619E-03
DAV: 22 -0.904027804470E+02 -0.22885E-04 -0.45926E-06 458 0.156E-02 0.274E-03
DAV: 23 -0.904027838740E+02 -0.34270E-05 -0.60794E-06 504 0.138E-02
1 F= -.90402784E+02 E0= -.90408850E+02 d E =0.181983E-01