./iterations/neb0_image04_iter91_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 0.370582095059E+03 0.37058E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.441146554790E+01 -0.36617E+03 -0.35337E+03 850 0.195E+02
DAV: 3 -0.955234698256E+02 -0.99935E+02 -0.99621E+02 693 0.116E+02
DAV: 4 -0.998260179635E+02 -0.43025E+01 -0.42923E+01 712 0.274E+01
DAV: 5 -0.999080944778E+02 -0.82077E-01 -0.82044E-01 720 0.342E+00 0.222E+01
DAV: 6 -0.914085376554E+02 0.84996E+01 -0.29998E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.905592600958E+02 0.84928E+00 -0.17571E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901615779734E+02 0.39768E+00 -0.55754E-01 728 0.423E+00 0.165E+00
DAV: 9 -0.900661704620E+02 0.95408E-01 -0.13477E-01 712 0.176E+00 0.438E-01
DAV: 10 -0.900566956313E+02 0.94748E-02 -0.56812E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900609476165E+02 -0.42520E-02 -0.14577E-02 613 0.715E-01 0.144E-01
DAV: 12 -0.900626037533E+02 -0.16561E-02 -0.44977E-03 661 0.308E-01 0.139E-01
DAV: 13 -0.900663632367E+02 -0.37595E-02 -0.29200E-03 845 0.400E-01 0.771E-02
DAV: 14 -0.900698345970E+02 -0.34714E-02 -0.12279E-03 650 0.166E-01 0.666E-02
DAV: 15 -0.900721476628E+02 -0.23131E-02 -0.40035E-04 733 0.129E-01 0.338E-02
DAV: 16 -0.900737864556E+02 -0.16388E-02 -0.45878E-04 680 0.114E-01 0.294E-02
DAV: 17 -0.900748129132E+02 -0.10265E-02 -0.13317E-04 679 0.660E-02 0.187E-02
DAV: 18 -0.900751355209E+02 -0.32261E-03 -0.73258E-05 664 0.419E-02 0.950E-03
DAV: 19 -0.900752782883E+02 -0.14277E-03 -0.14352E-05 463 0.227E-02 0.369E-03
DAV: 20 -0.900753318439E+02 -0.53556E-04 -0.10109E-05 453 0.146E-02 0.391E-03
DAV: 21 -0.900753567908E+02 -0.24947E-04 -0.33082E-06 447 0.846E-03 0.160E-03
DAV: 22 -0.900753632872E+02 -0.64964E-05 -0.22349E-06 472 0.746E-03
1 F= -.90075363E+02 E0= -.90079457E+02 d E =0.122801E-01