./iterations/neb0_image07_iter169_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 0.371011880508E+03 0.37101E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.322320658210E+01 -0.36779E+03 -0.35513E+03 869 0.194E+02
DAV: 3 -0.963051286328E+02 -0.99528E+02 -0.99206E+02 672 0.116E+02
DAV: 4 -0.101007687284E+03 -0.47026E+01 -0.46914E+01 688 0.290E+01
DAV: 5 -0.101105621502E+03 -0.97934E-01 -0.97860E-01 736 0.373E+00 0.226E+01
DAV: 6 -0.925435276895E+02 0.85621E+01 -0.30474E+01 736 0.299E+01 0.118E+01
DAV: 7 -0.916988450109E+02 0.84468E+00 -0.17234E+00 712 0.615E+00 0.478E+00
DAV: 8 -0.913300643932E+02 0.36878E+00 -0.52230E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912488677489E+02 0.81197E-01 -0.13203E-01 728 0.159E+00 0.421E-01
DAV: 10 -0.912405951985E+02 0.82726E-02 -0.40914E-02 773 0.108E+00 0.292E-01
DAV: 11 -0.912446871060E+02 -0.40919E-02 -0.11229E-02 608 0.563E-01 0.134E-01
DAV: 12 -0.912475275563E+02 -0.28405E-02 -0.26282E-03 642 0.278E-01 0.869E-02
DAV: 13 -0.912512701565E+02 -0.37426E-02 -0.11555E-03 634 0.168E-01 0.579E-02
DAV: 14 -0.912539483246E+02 -0.26782E-02 -0.54753E-04 800 0.170E-01 0.326E-02
DAV: 15 -0.912558125336E+02 -0.18642E-02 -0.28615E-04 669 0.983E-02 0.326E-02
DAV: 16 -0.912571328671E+02 -0.13203E-02 -0.15846E-04 669 0.604E-02 0.139E-02
DAV: 17 -0.912578186643E+02 -0.68580E-03 -0.90452E-05 709 0.449E-02 0.120E-02
DAV: 18 -0.912581265027E+02 -0.30784E-03 -0.43793E-05 653 0.345E-02 0.450E-03
DAV: 19 -0.912581918132E+02 -0.65311E-04 -0.56222E-06 464 0.131E-02 0.323E-03
DAV: 20 -0.912582185126E+02 -0.26699E-04 -0.46800E-06 458 0.137E-02 0.181E-03
DAV: 21 -0.912582322013E+02 -0.13689E-04 -0.18083E-06 450 0.736E-03 0.197E-03
DAV: 22 -0.912582380229E+02 -0.58215E-05 -0.11808E-06 417 0.653E-03
1 F= -.91258238E+02 E0= -.91263989E+02 d E =0.172533E-01