iterations/neb0_image07_iter31_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 0.144964644236E+04 0.14496E+04 -0.44230E+04 330 0.697E+02
DAV: 2 0.235587243961E+03 -0.12141E+04 -0.11383E+04 408 0.163E+02
DAV: 3 -0.367134799616E+03 -0.60272E+03 -0.59928E+03 363 0.116E+02
DAV: 4 -0.433126279602E+03 -0.65991E+02 -0.65744E+02 318 0.477E+01
DAV: 5 -0.434538576597E+03 -0.14123E+01 -0.14099E+01 318 0.733E+00 0.426E+01
DAV: 6 -0.388804755233E+03 0.45734E+02 -0.14919E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385389248508E+03 0.34155E+01 -0.12937E+01 345 0.773E+00 0.104E+01
DAV: 8 -0.383912367424E+03 0.14769E+01 -0.18141E+00 336 0.378E+00 0.431E+00
DAV: 9 -0.383391962771E+03 0.52040E+00 -0.15829E+00 336 0.223E+00 0.114E+00
DAV: 10 -0.383318720612E+03 0.73242E-01 -0.17538E-01 336 0.101E+00 0.946E-01
DAV: 11 -0.383290210193E+03 0.28510E-01 -0.10420E-01 336 0.597E-01 0.858E-01
DAV: 12 -0.383280119268E+03 0.10091E-01 -0.20804E-01 381 0.671E-01 0.113E+00
DAV: 13 -0.383249285920E+03 0.30833E-01 -0.18540E-01 363 0.576E-01 0.432E-01
DAV: 14 -0.383240751145E+03 0.85348E-02 -0.27397E-02 309 0.435E-01 0.479E-01
DAV: 15 -0.383242704496E+03 -0.19534E-02 -0.15485E-02 327 0.314E-01 0.748E-01
DAV: 16 -0.383238196857E+03 0.45076E-02 -0.30886E-02 291 0.264E-01 0.237E-01
DAV: 17 -0.383247445038E+03 -0.92482E-02 -0.49653E-03 318 0.223E-01 0.120E-01
DAV: 18 -0.383261176798E+03 -0.13732E-01 -0.49164E-03 300 0.244E-01 0.133E-01
DAV: 19 -0.383268353661E+03 -0.71769E-02 -0.31389E-03 327 0.141E-01 0.147E-01
DAV: 20 -0.383272486360E+03 -0.41327E-02 -0.39467E-04 336 0.523E-02 0.149E-01
DAV: 21 -0.383281035808E+03 -0.85494E-02 -0.13319E-03 282 0.705E-02 0.443E-02
DAV: 22 -0.383283915266E+03 -0.28795E-02 -0.38133E-04 336 0.398E-02 0.485E-02
DAV: 23 -0.383285881410E+03 -0.19661E-02 -0.21430E-04 309 0.280E-02 0.169E-02
DAV: 24 -0.383287969746E+03 -0.20883E-02 -0.10656E-04 300 0.204E-02 0.235E-02
DAV: 25 -0.383289229489E+03 -0.12597E-02 -0.82490E-05 282 0.151E-02 0.202E-02
DAV: 26 -0.383290049573E+03 -0.82008E-03 -0.42867E-05 291 0.117E-02 0.770E-03
DAV: 27 -0.383290482747E+03 -0.43317E-03 -0.16830E-05 219 0.914E-03 0.337E-03
DAV: 28 -0.383290612059E+03 -0.12931E-03 -0.58587E-06 237 0.556E-03 0.282E-03
DAV: 29 -0.383290698577E+03 -0.86518E-04 -0.27320E-06 192 0.355E-03 0.193E-03
DAV: 30 -0.383290788981E+03 -0.90404E-04 -0.37471E-06 219 0.400E-03 0.174E-03
DAV: 31 -0.383290799325E+03 -0.10344E-04 -0.94545E-07 237 0.224E-03 0.162E-03
DAV: 32 -0.383290816977E+03 -0.17652E-04 -0.93939E-07 192 0.212E-03 0.152E-03
DAV: 33 -0.383290823448E+03 -0.64716E-05 -0.31790E-07 219 0.138E-03
1 F= -.38329082E+03 E0= -.38330794E+03 d E =0.513539E-01