iterations/neb0_image09_iter59_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 0.142005553137E+04 0.14201E+04 -0.43948E+04 330 0.697E+02
DAV: 2 0.221291982881E+03 -0.11988E+04 -0.11253E+04 426 0.162E+02
DAV: 3 -0.352204019281E+03 -0.57350E+03 -0.56844E+03 363 0.113E+02
DAV: 4 -0.420082428377E+03 -0.67878E+02 -0.67470E+02 309 0.484E+01
DAV: 5 -0.421714715184E+03 -0.16323E+01 -0.16284E+01 345 0.768E+00 0.412E+01
DAV: 6 -0.378956452648E+03 0.42758E+02 -0.16305E+02 300 0.289E+01 0.214E+01
DAV: 7 -0.376472898504E+03 0.24836E+01 -0.37201E+01 372 0.917E+00 0.119E+01
DAV: 8 -0.374389422595E+03 0.20835E+01 -0.10038E+01 390 0.511E+00 0.699E+00
DAV: 9 -0.373628813366E+03 0.76061E+00 -0.34513E+00 327 0.280E+00 0.216E+00
DAV: 10 -0.373433995888E+03 0.19482E+00 -0.55263E-01 327 0.130E+00 0.909E-01
DAV: 11 -0.373398406968E+03 0.35589E-01 -0.73824E-02 345 0.584E-01 0.572E-01
DAV: 12 -0.373375640851E+03 0.22766E-01 -0.21450E-02 336 0.406E-01 0.288E-01
DAV: 13 -0.373369511938E+03 0.61289E-02 -0.13498E-02 309 0.327E-01 0.177E-01
DAV: 14 -0.373377633773E+03 -0.81218E-02 -0.10851E-02 318 0.323E-01 0.135E-01
DAV: 15 -0.373390216957E+03 -0.12583E-01 -0.61346E-03 318 0.231E-01 0.937E-02
DAV: 16 -0.373398363315E+03 -0.81464E-02 -0.33451E-03 327 0.162E-01 0.520E-02
DAV: 17 -0.373404382228E+03 -0.60189E-02 -0.78292E-04 318 0.718E-02 0.416E-02
DAV: 18 -0.373411531406E+03 -0.71492E-02 -0.45422E-04 327 0.504E-02 0.250E-02
DAV: 19 -0.373416921443E+03 -0.53900E-02 -0.28164E-04 309 0.350E-02 0.154E-02
DAV: 20 -0.373419515623E+03 -0.25942E-02 -0.12847E-04 327 0.231E-02 0.105E-02
DAV: 21 -0.373421327763E+03 -0.18121E-02 -0.80800E-05 291 0.177E-02 0.685E-03
DAV: 22 -0.373422384838E+03 -0.10571E-02 -0.58604E-05 300 0.140E-02 0.546E-03
DAV: 23 -0.373422625701E+03 -0.24086E-03 -0.55811E-06 228 0.713E-03 0.302E-03
DAV: 24 -0.373422853702E+03 -0.22800E-03 -0.14576E-05 228 0.880E-03 0.495E-03
DAV: 25 -0.373422914445E+03 -0.60743E-04 -0.24323E-06 228 0.646E-03 0.241E-03
DAV: 26 -0.373422963498E+03 -0.49054E-04 -0.44790E-06 219 0.579E-03 0.222E-03
DAV: 27 -0.373423004628E+03 -0.41129E-04 -0.14408E-06 219 0.337E-03 0.119E-03
DAV: 28 -0.373423021343E+03 -0.16715E-04 -0.89798E-07 219 0.215E-03 0.665E-04
DAV: 29 -0.373423030779E+03 -0.94360E-05 -0.33440E-07 228 0.130E-03
1 F= -.37342303E+03 E0= -.37342690E+03 d E =0.115958E-01