iterations/neb0_image07_iter95_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 0.376478724059E+03 0.37648E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.335052401787E+01 -0.37313E+03 -0.36117E+03 877 0.196E+02
DAV: 3 -0.963517554518E+02 -0.99702E+02 -0.99371E+02 664 0.117E+02
DAV: 4 -0.100877732195E+03 -0.45260E+01 -0.45153E+01 696 0.287E+01
DAV: 5 -0.100968576384E+03 -0.90844E-01 -0.90807E-01 728 0.365E+00 0.226E+01
DAV: 6 -0.923742157996E+02 0.85944E+01 -0.30722E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.915168240181E+02 0.85739E+00 -0.16633E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.911366059343E+02 0.38022E+00 -0.56036E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.910528387172E+02 0.83767E-01 -0.13165E-01 728 0.155E+00 0.425E-01
DAV: 10 -0.910434912574E+02 0.93475E-02 -0.46997E-02 728 0.111E+00 0.307E-01
DAV: 11 -0.910480220144E+02 -0.45308E-02 -0.11827E-02 616 0.569E-01 0.135E-01
DAV: 12 -0.910512846466E+02 -0.32626E-02 -0.36946E-03 619 0.281E-01 0.148E-01
DAV: 13 -0.910549643107E+02 -0.36797E-02 -0.27893E-03 776 0.327E-01 0.562E-02
DAV: 14 -0.910574960264E+02 -0.25317E-02 -0.59426E-04 653 0.114E-01 0.588E-02
DAV: 15 -0.910601120376E+02 -0.26160E-02 -0.33896E-04 653 0.890E-02 0.314E-02
DAV: 16 -0.910611010756E+02 -0.98904E-03 -0.32342E-04 680 0.891E-02 0.266E-02
DAV: 17 -0.910616824511E+02 -0.58138E-03 -0.11014E-04 634 0.638E-02 0.106E-02
DAV: 18 -0.910618208787E+02 -0.13843E-03 -0.20098E-05 496 0.250E-02 0.662E-03
DAV: 19 -0.910619144017E+02 -0.93523E-04 -0.22667E-05 474 0.259E-02 0.425E-03
DAV: 20 -0.910619338767E+02 -0.19475E-04 -0.41601E-06 520 0.116E-02 0.365E-03
DAV: 21 -0.910619457486E+02 -0.11872E-04 -0.27024E-06 407 0.101E-02 0.169E-03
DAV: 22 -0.910619555706E+02 -0.98221E-05 -0.17090E-06 417 0.628E-03
1 F= -.91061956E+02 E0= -.91066607E+02 d E =0.139547E-01