iterations/neb0_image06_iter47_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 0.144161020160E+04 0.14416E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.234945067372E+03 -0.12067E+04 -0.11314E+04 408 0.163E+02
DAV: 3 -0.365390548769E+03 -0.60034E+03 -0.59685E+03 363 0.115E+02
DAV: 4 -0.431563599737E+03 -0.66173E+02 -0.65934E+02 309 0.478E+01
DAV: 5 -0.433032109153E+03 -0.14685E+01 -0.14660E+01 336 0.742E+00 0.424E+01
DAV: 6 -0.387751017028E+03 0.45281E+02 -0.14966E+02 309 0.287E+01 0.207E+01
DAV: 7 -0.384409907951E+03 0.33411E+01 -0.12847E+01 345 0.772E+00 0.104E+01
DAV: 8 -0.382947475818E+03 0.14624E+01 -0.22528E+00 327 0.385E+00 0.433E+00
DAV: 9 -0.382388496997E+03 0.55898E+00 -0.11367E+00 327 0.223E+00 0.119E+00
DAV: 10 -0.382335260627E+03 0.53236E-01 -0.44882E-01 336 0.111E+00 0.989E-01
DAV: 11 -0.382296113941E+03 0.39147E-01 -0.80831E-02 327 0.594E-01 0.687E-01
DAV: 12 -0.382278474284E+03 0.17640E-01 -0.54571E-02 354 0.578E-01 0.950E-01
DAV: 13 -0.382261265996E+03 0.17208E-01 -0.86222E-02 336 0.427E-01 0.475E-01
DAV: 14 -0.382253169106E+03 0.80969E-02 -0.22082E-02 309 0.385E-01 0.360E-01
DAV: 15 -0.382252218471E+03 0.95064E-03 -0.15252E-02 318 0.340E-01 0.426E-01
DAV: 16 -0.382254523086E+03 -0.23046E-02 -0.83254E-03 300 0.257E-01 0.138E-01
DAV: 17 -0.382264585074E+03 -0.10062E-01 -0.47298E-03 300 0.195E-01 0.113E-01
DAV: 18 -0.382277031413E+03 -0.12446E-01 -0.31070E-03 309 0.162E-01 0.107E-01
DAV: 19 -0.382283635444E+03 -0.66040E-02 -0.16066E-03 336 0.105E-01 0.509E-02
DAV: 20 -0.382290426733E+03 -0.67913E-02 -0.51627E-04 318 0.607E-02 0.484E-02
DAV: 21 -0.382295003769E+03 -0.45770E-02 -0.17952E-04 327 0.334E-02 0.308E-02
DAV: 22 -0.382299981710E+03 -0.49779E-02 -0.37524E-04 300 0.404E-02 0.199E-02
DAV: 23 -0.382302272082E+03 -0.22904E-02 -0.10630E-04 318 0.203E-02 0.132E-02
DAV: 24 -0.382303320553E+03 -0.10485E-02 -0.57885E-05 300 0.176E-02 0.903E-03
DAV: 25 -0.382303816185E+03 -0.49563E-03 -0.12649E-05 237 0.822E-03 0.594E-03
DAV: 26 -0.382304242829E+03 -0.42664E-03 -0.18820E-05 246 0.722E-03 0.366E-03
DAV: 27 -0.382304411653E+03 -0.16882E-03 -0.43061E-06 228 0.519E-03 0.227E-03
DAV: 28 -0.382304488102E+03 -0.76449E-04 -0.27949E-06 210 0.376E-03 0.233E-03
DAV: 29 -0.382304547370E+03 -0.59268E-04 -0.15236E-06 201 0.257E-03 0.165E-03
DAV: 30 -0.382304581073E+03 -0.33703E-04 -0.12471E-06 219 0.225E-03 0.770E-04
DAV: 31 -0.382304598242E+03 -0.17169E-04 -0.83238E-07 201 0.183E-03 0.728E-04
DAV: 32 -0.382304603929E+03 -0.56873E-05 -0.30881E-07 228 0.109E-03
1 F= -.38230460E+03 E0= -.38232185E+03 d E =0.517318E-01