iterations/neb0_image02_iter64_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 0.144783510379E+04 0.14478E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224016727039E+03 -0.12238E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.363118126455E+03 -0.58713E+03 -0.58403E+03 345 0.114E+02
DAV: 4 -0.433501824010E+03 -0.70384E+02 -0.70141E+02 318 0.508E+01
DAV: 5 -0.435075583141E+03 -0.15738E+01 -0.15713E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389086270507E+03 0.45989E+02 -0.14816E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385615553860E+03 0.34707E+01 -0.13465E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384139570816E+03 0.14760E+01 -0.21128E+00 336 0.384E+00 0.430E+00
DAV: 9 -0.383573985755E+03 0.56559E+00 -0.71000E-01 336 0.219E+00 0.113E+00
DAV: 10 -0.383509839948E+03 0.64146E-01 -0.12292E-01 336 0.102E+00 0.831E-01
DAV: 11 -0.383496554057E+03 0.13286E-01 -0.60253E-02 327 0.535E-01 0.950E-01
DAV: 12 -0.383473489863E+03 0.23064E-01 -0.23693E-02 345 0.471E-01 0.848E-01
DAV: 13 -0.383465998717E+03 0.74911E-02 -0.15931E-01 363 0.424E-01 0.766E-01
DAV: 14 -0.383451873106E+03 0.14126E-01 -0.56893E-02 345 0.400E-01 0.322E-01
DAV: 15 -0.383449963482E+03 0.19096E-02 -0.13943E-02 318 0.337E-01 0.237E-01
DAV: 16 -0.383453729202E+03 -0.37657E-02 -0.49355E-03 336 0.228E-01 0.165E-01
DAV: 17 -0.383461721574E+03 -0.79924E-02 -0.21898E-03 282 0.153E-01 0.122E-01
DAV: 18 -0.383476031015E+03 -0.14309E-01 -0.34070E-03 309 0.172E-01 0.523E-02
DAV: 19 -0.383484321527E+03 -0.82905E-02 -0.19846E-03 309 0.132E-01 0.446E-02
DAV: 20 -0.383491177563E+03 -0.68560E-02 -0.72296E-04 318 0.664E-02 0.470E-02
DAV: 21 -0.383497315316E+03 -0.61378E-02 -0.33090E-04 318 0.407E-02 0.585E-02
DAV: 22 -0.383501553442E+03 -0.42381E-02 -0.24927E-04 318 0.366E-02 0.193E-02
DAV: 23 -0.383503315093E+03 -0.17617E-02 -0.10221E-04 336 0.218E-02 0.160E-02
DAV: 24 -0.383504608251E+03 -0.12932E-02 -0.53802E-05 282 0.161E-02 0.109E-02
DAV: 25 -0.383505197597E+03 -0.58935E-03 -0.14968E-05 237 0.832E-03 0.785E-03
DAV: 26 -0.383505716023E+03 -0.51843E-03 -0.24678E-05 237 0.976E-03 0.382E-03
DAV: 27 -0.383505868363E+03 -0.15234E-03 -0.71869E-06 237 0.787E-03 0.341E-03
DAV: 28 -0.383505933525E+03 -0.65161E-04 -0.22216E-06 219 0.408E-03 0.256E-03
DAV: 29 -0.383506008302E+03 -0.74778E-04 -0.29144E-06 201 0.465E-03 0.171E-03
DAV: 30 -0.383506047849E+03 -0.39547E-04 -0.13071E-06 210 0.279E-03 0.982E-04
DAV: 31 -0.383506070614E+03 -0.22764E-04 -0.10182E-06 219 0.223E-03 0.131E-03
DAV: 32 -0.383506084979E+03 -0.14365E-04 -0.55608E-07 192 0.199E-03 0.530E-04
DAV: 33 -0.383506090707E+03 -0.57278E-05 -0.43048E-07 228 0.152E-03
1 F= -.38350609E+03 E0= -.38352257E+03 d E =0.494234E-01