iterations/neb0_image09_iter62_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 0.142962200705E+04 0.14296E+04 -0.44043E+04 330 0.697E+02
DAV: 2 0.228201658246E+03 -0.12014E+04 -0.11267E+04 417 0.162E+02
DAV: 3 -0.354893535430E+03 -0.58310E+03 -0.57841E+03 363 0.113E+02
DAV: 4 -0.424169174995E+03 -0.69276E+02 -0.68892E+02 309 0.489E+01
DAV: 5 -0.425783231429E+03 -0.16141E+01 -0.16102E+01 327 0.771E+00 0.419E+01
DAV: 6 -0.380590977782E+03 0.45192E+02 -0.15971E+02 300 0.291E+01 0.208E+01
DAV: 7 -0.377545552550E+03 0.30454E+01 -0.19209E+01 336 0.856E+00 0.107E+01
DAV: 8 -0.375973469474E+03 0.15721E+01 -0.52198E+00 336 0.460E+00 0.557E+00
DAV: 9 -0.375393547051E+03 0.57992E+00 -0.25866E+00 327 0.236E+00 0.182E+00
DAV: 10 -0.375216997917E+03 0.17655E+00 -0.47256E-01 336 0.126E+00 0.823E-01
DAV: 11 -0.375181383415E+03 0.35615E-01 -0.56776E-02 345 0.586E-01 0.499E-01
DAV: 12 -0.375155933271E+03 0.25450E-01 -0.16465E-02 309 0.418E-01 0.223E-01
DAV: 13 -0.375152122345E+03 0.38109E-02 -0.12419E-02 327 0.363E-01 0.164E-01
DAV: 14 -0.375161844935E+03 -0.97226E-02 -0.67632E-03 345 0.284E-01 0.115E-01
DAV: 15 -0.375174282074E+03 -0.12437E-01 -0.36597E-03 300 0.212E-01 0.669E-02
DAV: 16 -0.375182919687E+03 -0.86376E-02 -0.34568E-03 327 0.178E-01 0.438E-02
DAV: 17 -0.375191917958E+03 -0.89983E-02 -0.12867E-03 327 0.920E-02 0.405E-02
DAV: 18 -0.375196512655E+03 -0.45947E-02 -0.17649E-04 336 0.316E-02 0.243E-02
DAV: 19 -0.375202547581E+03 -0.60349E-02 -0.42127E-04 291 0.369E-02 0.167E-02
DAV: 20 -0.375204656285E+03 -0.21087E-02 -0.10528E-04 327 0.194E-02 0.114E-02
DAV: 21 -0.375206244204E+03 -0.15879E-02 -0.87430E-05 282 0.206E-02 0.883E-03
DAV: 22 -0.375206614587E+03 -0.37038E-03 -0.86989E-06 228 0.827E-03 0.643E-03
DAV: 23 -0.375207271286E+03 -0.65670E-03 -0.38748E-05 255 0.133E-02 0.356E-03
DAV: 24 -0.375207442838E+03 -0.17155E-03 -0.59830E-06 228 0.661E-03 0.273E-03
DAV: 25 -0.375207548800E+03 -0.10596E-03 -0.45855E-06 219 0.486E-03 0.166E-03
DAV: 26 -0.375207600294E+03 -0.51494E-04 -0.13976E-06 228 0.297E-03 0.915E-04
DAV: 27 -0.375207664380E+03 -0.64086E-04 -0.24215E-06 219 0.293E-03 0.944E-04
DAV: 28 -0.375207682453E+03 -0.18074E-04 -0.85624E-07 228 0.197E-03 0.518E-04
DAV: 29 -0.375207693650E+03 -0.11197E-04 -0.68785E-07 219 0.190E-03 0.670E-04
DAV: 30 -0.375207698781E+03 -0.51306E-05 -0.27343E-07 228 0.122E-03
1 F= -.37520770E+03 E0= -.37521157E+03 d E =0.116080E-01