./iterations/neb0_image06_iter130_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 0.374379267912E+03 0.37438E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.383486515341E+01 -0.37054E+03 -0.35860E+03 882 0.194E+02
DAV: 3 -0.956920754750E+02 -0.99527E+02 -0.99207E+02 672 0.116E+02
DAV: 4 -0.100292080170E+03 -0.46000E+01 -0.45854E+01 712 0.285E+01
DAV: 5 -0.100385230053E+03 -0.93150E-01 -0.93105E-01 744 0.362E+00 0.225E+01
DAV: 6 -0.918591663318E+02 0.85261E+01 -0.30787E+01 712 0.304E+01 0.117E+01
DAV: 7 -0.910572069939E+02 0.80196E+00 -0.17191E+00 712 0.628E+00 0.481E+00
DAV: 8 -0.906804554821E+02 0.37675E+00 -0.52534E-01 728 0.404E+00 0.168E+00
DAV: 9 -0.905882152204E+02 0.92240E-01 -0.13362E-01 728 0.163E+00 0.422E-01
DAV: 10 -0.905781428554E+02 0.10072E-01 -0.40830E-02 744 0.105E+00 0.292E-01
DAV: 11 -0.905822714506E+02 -0.41286E-02 -0.10717E-02 610 0.558E-01 0.154E-01
DAV: 12 -0.905844913936E+02 -0.22199E-02 -0.20656E-03 639 0.248E-01 0.102E-01
DAV: 13 -0.905889297757E+02 -0.44384E-02 -0.17863E-03 644 0.247E-01 0.545E-02
DAV: 14 -0.905912088157E+02 -0.22790E-02 -0.36579E-04 768 0.123E-01 0.318E-02
DAV: 15 -0.905940419166E+02 -0.28331E-02 -0.37842E-04 629 0.963E-02 0.281E-02
DAV: 16 -0.905952545067E+02 -0.12126E-02 -0.10156E-04 677 0.443E-02 0.128E-02
DAV: 17 -0.905961497073E+02 -0.89520E-03 -0.12596E-04 634 0.535E-02 0.129E-02
DAV: 18 -0.905963435217E+02 -0.19381E-03 -0.22906E-05 568 0.305E-02 0.862E-03
DAV: 19 -0.905964340115E+02 -0.90490E-04 -0.18736E-05 418 0.308E-02 0.539E-03
DAV: 20 -0.905964857816E+02 -0.51770E-04 -0.13194E-05 456 0.240E-02 0.488E-03
DAV: 21 -0.905965094607E+02 -0.23679E-04 -0.53346E-06 445 0.143E-02 0.345E-03
DAV: 22 -0.905965169842E+02 -0.75235E-05 -0.29731E-06 480 0.111E-02
1 F= -.90596517E+02 E0= -.90600810E+02 d E =0.128798E-01