./iterations/neb0_image06_iter137_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 0.371405528913E+03 0.37141E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.355815220712E+01 -0.36785E+03 -0.35561E+03 877 0.193E+02
DAV: 3 -0.959403126708E+02 -0.99498E+02 -0.99173E+02 704 0.116E+02
DAV: 4 -0.100323251451E+03 -0.43829E+01 -0.43702E+01 696 0.272E+01
DAV: 5 -0.100410465352E+03 -0.87214E-01 -0.87175E-01 736 0.341E+00 0.225E+01
DAV: 6 -0.918895455583E+02 0.85209E+01 -0.30588E+01 712 0.303E+01 0.118E+01
DAV: 7 -0.910737733819E+02 0.81577E+00 -0.17105E+00 712 0.629E+00 0.481E+00
DAV: 8 -0.906965659186E+02 0.37721E+00 -0.54033E-01 712 0.407E+00 0.166E+00
DAV: 9 -0.906066423826E+02 0.89924E-01 -0.13143E-01 728 0.163E+00 0.422E-01
DAV: 10 -0.905967985476E+02 0.98438E-02 -0.37435E-02 768 0.980E-01 0.287E-01
DAV: 11 -0.906006813698E+02 -0.38828E-02 -0.94419E-03 610 0.513E-01 0.143E-01
DAV: 12 -0.906030200669E+02 -0.23387E-02 -0.17902E-03 661 0.247E-01 0.903E-02
DAV: 13 -0.906074047728E+02 -0.43847E-02 -0.17925E-03 630 0.224E-01 0.668E-02
DAV: 14 -0.906096965208E+02 -0.22917E-02 -0.51196E-04 768 0.155E-01 0.270E-02
DAV: 15 -0.906125034156E+02 -0.28069E-02 -0.43875E-04 634 0.990E-02 0.337E-02
DAV: 16 -0.906137080906E+02 -0.12047E-02 -0.11922E-04 685 0.630E-02 0.145E-02
DAV: 17 -0.906146215933E+02 -0.91350E-03 -0.16171E-04 639 0.628E-02 0.166E-02
DAV: 18 -0.906148325274E+02 -0.21093E-03 -0.34413E-05 592 0.438E-02 0.842E-03
DAV: 19 -0.906149053872E+02 -0.72860E-04 -0.22792E-05 501 0.274E-02 0.691E-03
DAV: 20 -0.906149755706E+02 -0.70183E-04 -0.10711E-05 412 0.193E-02 0.380E-03
DAV: 21 -0.906149920641E+02 -0.16493E-04 -0.42205E-06 512 0.137E-02 0.194E-03
DAV: 22 -0.906150060807E+02 -0.14017E-04 -0.26879E-06 406 0.862E-03 0.158E-03
DAV: 23 -0.906150106498E+02 -0.45691E-05 -0.88792E-07 458 0.465E-03
1 F= -.90615011E+02 E0= -.90619063E+02 d E =0.121577E-01