iterations/neb0_image03_iter63_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 0.144860627254E+04 0.14486E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.224157054186E+03 -0.12244E+04 -0.11484E+04 435 0.163E+02
DAV: 3 -0.362696707249E+03 -0.58685E+03 -0.58362E+03 345 0.114E+02
DAV: 4 -0.433454467736E+03 -0.70758E+02 -0.70529E+02 309 0.509E+01
DAV: 5 -0.435049702063E+03 -0.15952E+01 -0.15926E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389064068970E+03 0.45986E+02 -0.14820E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385598903386E+03 0.34652E+01 -0.13594E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384139156267E+03 0.14597E+01 -0.25548E+00 336 0.391E+00 0.438E+00
DAV: 9 -0.383575913008E+03 0.56324E+00 -0.78235E-01 336 0.235E+00 0.131E+00
DAV: 10 -0.383512854621E+03 0.63058E-01 -0.48937E-01 327 0.122E+00 0.108E+00
DAV: 11 -0.383478240645E+03 0.34614E-01 -0.18849E-01 336 0.687E-01 0.763E-01
DAV: 12 -0.383458274619E+03 0.19966E-01 -0.22752E-02 336 0.503E-01 0.710E-01
DAV: 13 -0.383446285353E+03 0.11989E-01 -0.43656E-02 345 0.387E-01 0.634E-01
DAV: 14 -0.383436077952E+03 0.10207E-01 -0.26918E-02 318 0.430E-01 0.572E-01
DAV: 15 -0.383434287583E+03 0.17904E-02 -0.41257E-02 345 0.360E-01 0.425E-01
DAV: 16 -0.383436955266E+03 -0.26677E-02 -0.88190E-03 318 0.326E-01 0.270E-01
DAV: 17 -0.383443426350E+03 -0.64711E-02 -0.46555E-03 309 0.196E-01 0.126E-01
DAV: 18 -0.383455079380E+03 -0.11653E-01 -0.47387E-03 300 0.172E-01 0.200E-01
DAV: 19 -0.383464230400E+03 -0.91510E-02 -0.29446E-03 300 0.142E-01 0.708E-02
DAV: 20 -0.383470313027E+03 -0.60826E-02 -0.85919E-04 336 0.807E-02 0.533E-02
DAV: 21 -0.383476434476E+03 -0.61214E-02 -0.37922E-04 318 0.444E-02 0.407E-02
DAV: 22 -0.383481173675E+03 -0.47392E-02 -0.22415E-04 309 0.308E-02 0.235E-02
DAV: 23 -0.383483971077E+03 -0.27974E-02 -0.14291E-04 300 0.268E-02 0.254E-02
DAV: 24 -0.383486402763E+03 -0.24317E-02 -0.13998E-04 300 0.224E-02 0.147E-02
DAV: 25 -0.383486810009E+03 -0.40725E-03 -0.17311E-05 255 0.104E-02 0.897E-03
DAV: 26 -0.383487320790E+03 -0.51078E-03 -0.21618E-05 237 0.997E-03 0.642E-03
DAV: 27 -0.383487571565E+03 -0.25077E-03 -0.62835E-06 228 0.607E-03 0.376E-03
DAV: 28 -0.383487753185E+03 -0.18162E-03 -0.62456E-06 219 0.557E-03 0.288E-03
DAV: 29 -0.383487818884E+03 -0.65699E-04 -0.25001E-06 237 0.385E-03 0.220E-03
DAV: 30 -0.383487873563E+03 -0.54678E-04 -0.17588E-06 192 0.301E-03 0.165E-03
DAV: 31 -0.383487910073E+03 -0.36510E-04 -0.15980E-06 219 0.256E-03 0.147E-03
DAV: 32 -0.383487915364E+03 -0.52910E-05 -0.46384E-07 237 0.160E-03
1 F= -.38348792E+03 E0= -.38350450E+03 d E =0.497522E-01