./iterations/neb0_image04_iter89_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 0.370589944897E+03 0.37059E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.440436160651E+01 -0.36619E+03 -0.35338E+03 850 0.195E+02
DAV: 3 -0.955199426905E+02 -0.99924E+02 -0.99610E+02 693 0.116E+02
DAV: 4 -0.998208187354E+02 -0.43009E+01 -0.42907E+01 704 0.274E+01
DAV: 5 -0.999031988734E+02 -0.82380E-01 -0.82345E-01 728 0.342E+00 0.222E+01
DAV: 6 -0.914067761407E+02 0.84964E+01 -0.29985E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.905563870787E+02 0.85039E+00 -0.17524E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901583271390E+02 0.39806E+00 -0.55844E-01 720 0.423E+00 0.165E+00
DAV: 9 -0.900631507724E+02 0.95176E-01 -0.13460E-01 712 0.175E+00 0.437E-01
DAV: 10 -0.900537280618E+02 0.94227E-02 -0.56730E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900579926634E+02 -0.42646E-02 -0.14248E-02 621 0.705E-01 0.143E-01
DAV: 12 -0.900597607941E+02 -0.17681E-02 -0.44674E-03 653 0.305E-01 0.137E-01
DAV: 13 -0.900635149514E+02 -0.37542E-02 -0.27294E-03 842 0.389E-01 0.761E-02
DAV: 14 -0.900669598092E+02 -0.34449E-02 -0.12028E-03 653 0.164E-01 0.653E-02
DAV: 15 -0.900693346124E+02 -0.23748E-02 -0.40246E-04 749 0.128E-01 0.346E-02
DAV: 16 -0.900709096647E+02 -0.15751E-02 -0.45816E-04 680 0.114E-01 0.294E-02
DAV: 17 -0.900719194790E+02 -0.10098E-02 -0.13595E-04 679 0.677E-02 0.182E-02
DAV: 18 -0.900722366628E+02 -0.31718E-03 -0.69509E-05 664 0.404E-02 0.914E-03
DAV: 19 -0.900723808355E+02 -0.14417E-03 -0.14784E-05 463 0.217E-02 0.394E-03
DAV: 20 -0.900724317380E+02 -0.50903E-04 -0.86788E-06 450 0.134E-02 0.357E-03
DAV: 21 -0.900724596193E+02 -0.27881E-04 -0.42509E-06 417 0.875E-03 0.153E-03
DAV: 22 -0.900724645232E+02 -0.49039E-05 -0.16133E-06 496 0.619E-03
1 F= -.90072465E+02 E0= -.90076594E+02 d E =0.123885E-01