iterations/neb0_image02_iter4_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 0.144799567554E+04 0.14480E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224445171079E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362836904395E+03 -0.58728E+03 -0.58415E+03 345 0.114E+02
DAV: 4 -0.433452809883E+03 -0.70616E+02 -0.70378E+02 309 0.508E+01
DAV: 5 -0.435037006699E+03 -0.15842E+01 -0.15816E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389085406205E+03 0.45952E+02 -0.14800E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385620257180E+03 0.34651E+01 -0.13468E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384142120438E+03 0.14781E+01 -0.20446E+00 336 0.382E+00 0.431E+00
DAV: 9 -0.383601339696E+03 0.54078E+00 -0.15562E+00 354 0.239E+00 0.135E+00
DAV: 10 -0.383544720575E+03 0.56619E-01 -0.41515E-01 318 0.113E+00 0.985E-01
DAV: 11 -0.383505858669E+03 0.38862E-01 -0.10530E-01 336 0.642E-01 0.785E-01
DAV: 12 -0.383491838930E+03 0.14020E-01 -0.11680E-01 354 0.707E-01 0.977E-01
DAV: 13 -0.383474249283E+03 0.17590E-01 -0.18608E-01 354 0.530E-01 0.703E-01
DAV: 14 -0.383461614014E+03 0.12635E-01 -0.60234E-02 318 0.389E-01 0.303E-01
DAV: 15 -0.383459035340E+03 0.25787E-02 -0.14016E-02 318 0.378E-01 0.264E-01
DAV: 16 -0.383463244660E+03 -0.42093E-02 -0.73291E-03 336 0.264E-01 0.239E-01
DAV: 17 -0.383468969664E+03 -0.57250E-02 -0.51946E-03 336 0.196E-01 0.201E-01
DAV: 18 -0.383475058700E+03 -0.60890E-02 -0.29117E-03 318 0.128E-01 0.123E-01
DAV: 19 -0.383481412489E+03 -0.63538E-02 -0.20081E-03 300 0.112E-01 0.955E-02
DAV: 20 -0.383490192915E+03 -0.87804E-02 -0.21994E-03 300 0.141E-01 0.141E-01
DAV: 21 -0.383494336717E+03 -0.41438E-02 -0.63520E-04 318 0.753E-02 0.881E-02
DAV: 22 -0.383502687143E+03 -0.83504E-02 -0.97911E-04 291 0.687E-02 0.520E-02
DAV: 23 -0.383504049298E+03 -0.13622E-02 -0.35355E-04 318 0.376E-02 0.382E-02
DAV: 24 -0.383506220723E+03 -0.21714E-02 -0.96007E-05 300 0.211E-02 0.392E-02
DAV: 25 -0.383507689362E+03 -0.14686E-02 -0.49081E-05 300 0.175E-02 0.168E-02
DAV: 26 -0.383509302645E+03 -0.16133E-02 -0.10385E-04 300 0.228E-02 0.176E-02
DAV: 27 -0.383509817749E+03 -0.51510E-03 -0.17712E-05 255 0.106E-02 0.874E-03
DAV: 28 -0.383509950702E+03 -0.13295E-03 -0.49950E-06 246 0.503E-03 0.652E-03
DAV: 29 -0.383510405968E+03 -0.45527E-03 -0.21919E-05 228 0.872E-03 0.543E-03
DAV: 30 -0.383510468913E+03 -0.62945E-04 -0.31738E-06 228 0.380E-03 0.358E-03
DAV: 31 -0.383510508393E+03 -0.39480E-04 -0.14335E-06 237 0.281E-03 0.296E-03
DAV: 32 -0.383510572230E+03 -0.63837E-04 -0.25000E-06 201 0.334E-03 0.232E-03
DAV: 33 -0.383510587250E+03 -0.15020E-04 -0.93440E-07 228 0.245E-03 0.196E-03
DAV: 34 -0.383510595179E+03 -0.79287E-05 -0.51032E-07 228 0.176E-03
1 F= -.38351060E+03 E0= -.38352727E+03 d E =0.500101E-01