iterations/neb0_image03_iter39_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144833663618E+04 0.14483E+04 -0.44185E+04 330 0.697E+02
DAV: 2 0.230260866244E+03 -0.12181E+04 -0.11415E+04 426 0.163E+02
DAV: 3 -0.357852492177E+03 -0.58811E+03 -0.58439E+03 345 0.114E+02
DAV: 4 -0.429580959003E+03 -0.71728E+02 -0.71432E+02 309 0.517E+01
DAV: 5 -0.431256333082E+03 -0.16754E+01 -0.16724E+01 336 0.803E+00 0.429E+01
DAV: 6 -0.384184535973E+03 0.47072E+02 -0.15188E+02 309 0.289E+01 0.209E+01
DAV: 7 -0.380777533357E+03 0.34070E+01 -0.13240E+01 336 0.815E+00 0.106E+01
DAV: 8 -0.379279036054E+03 0.14985E+01 -0.19773E+00 327 0.389E+00 0.420E+00
DAV: 9 -0.378713622266E+03 0.56541E+00 -0.56564E-01 327 0.190E+00 0.893E-01
DAV: 10 -0.378659396000E+03 0.54226E-01 -0.92750E-02 336 0.804E-01 0.639E-01
DAV: 11 -0.378628877735E+03 0.30518E-01 -0.15651E-02 309 0.387E-01 0.317E-01
DAV: 12 -0.378611564928E+03 0.17313E-01 -0.16202E-02 309 0.407E-01 0.187E-01
DAV: 13 -0.378615470790E+03 -0.39059E-02 -0.17066E-02 318 0.446E-01 0.135E-01
DAV: 14 -0.378626922335E+03 -0.11452E-01 -0.54988E-03 309 0.220E-01 0.111E-01
DAV: 15 -0.378639066079E+03 -0.12144E-01 -0.28469E-03 291 0.143E-01 0.548E-02
DAV: 16 -0.378647708658E+03 -0.86426E-02 -0.15274E-03 309 0.122E-01 0.509E-02
DAV: 17 -0.378656688703E+03 -0.89800E-02 -0.17301E-03 327 0.119E-01 0.522E-02
DAV: 18 -0.378661249722E+03 -0.45610E-02 -0.23722E-04 327 0.472E-02 0.334E-02
DAV: 19 -0.378666581088E+03 -0.53314E-02 -0.49856E-04 309 0.471E-02 0.131E-02
DAV: 20 -0.378667903843E+03 -0.13228E-02 -0.53843E-05 327 0.180E-02 0.859E-03
DAV: 21 -0.378669177272E+03 -0.12734E-02 -0.53564E-05 264 0.149E-02 0.593E-03
DAV: 22 -0.378669801511E+03 -0.62424E-03 -0.17469E-05 237 0.828E-03 0.400E-03
DAV: 23 -0.378670262777E+03 -0.46127E-03 -0.22715E-05 237 0.931E-03 0.281E-03
DAV: 24 -0.378670350508E+03 -0.87731E-04 -0.21439E-06 228 0.457E-03 0.214E-03
DAV: 25 -0.378670471904E+03 -0.12140E-03 -0.42335E-06 192 0.504E-03 0.212E-03
DAV: 26 -0.378670506793E+03 -0.34890E-04 -0.13576E-06 228 0.282E-03 0.130E-03
DAV: 27 -0.378670530432E+03 -0.23639E-04 -0.14803E-06 201 0.310E-03 0.101E-03
DAV: 28 -0.378670542747E+03 -0.12315E-04 -0.46336E-07 228 0.171E-03 0.567E-04
DAV: 29 -0.378670551880E+03 -0.91334E-05 -0.38160E-07 210 0.129E-03
1 F= -.37867055E+03 E0= -.37867442E+03 d E =0.115958E-01