iterations/neb0_image04_iter24_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 0.144955404911E+04 0.14496E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225281826316E+03 -0.12243E+04 -0.11495E+04 435 0.163E+02
DAV: 3 -0.362398658541E+03 -0.58768E+03 -0.58437E+03 345 0.114E+02
DAV: 4 -0.433314989412E+03 -0.70916E+02 -0.70656E+02 318 0.509E+01
DAV: 5 -0.434902204225E+03 -0.15872E+01 -0.15848E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389023567949E+03 0.45879E+02 -0.14761E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385573699263E+03 0.34499E+01 -0.13522E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384114432254E+03 0.14593E+01 -0.22769E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383572645195E+03 0.54179E+00 -0.16454E+00 327 0.243E+00 0.130E+00
DAV: 10 -0.383492923637E+03 0.79722E-01 -0.16667E-01 336 0.112E+00 0.918E-01
DAV: 11 -0.383459336535E+03 0.33587E-01 -0.89193E-02 345 0.779E-01 0.736E-01
DAV: 12 -0.383444608643E+03 0.14728E-01 -0.11615E-01 345 0.552E-01 0.552E-01
DAV: 13 -0.383431230680E+03 0.13378E-01 -0.50241E-02 327 0.410E-01 0.667E-01
DAV: 14 -0.383425453146E+03 0.57775E-02 -0.12933E-01 363 0.400E-01 0.518E-01
DAV: 15 -0.383421893352E+03 0.35598E-02 -0.11715E-02 309 0.347E-01 0.331E-01
DAV: 16 -0.383428239109E+03 -0.63458E-02 -0.91798E-03 309 0.272E-01 0.170E-01
DAV: 17 -0.383435958424E+03 -0.77193E-02 -0.63408E-03 354 0.198E-01 0.258E-01
DAV: 18 -0.383442232865E+03 -0.62744E-02 -0.19740E-03 300 0.122E-01 0.138E-01
DAV: 19 -0.383449913206E+03 -0.76803E-02 -0.11671E-03 300 0.100E-01 0.170E-01
DAV: 20 -0.383455571120E+03 -0.56579E-02 -0.31818E-03 336 0.921E-02 0.919E-02
DAV: 21 -0.383459560157E+03 -0.39890E-02 -0.32555E-04 309 0.594E-02 0.375E-02
DAV: 22 -0.383464267402E+03 -0.47072E-02 -0.34480E-04 318 0.396E-02 0.259E-02
DAV: 23 -0.383468151197E+03 -0.38838E-02 -0.13871E-04 309 0.281E-02 0.262E-02
DAV: 24 -0.383470574103E+03 -0.24229E-02 -0.13033E-04 300 0.231E-02 0.135E-02
DAV: 25 -0.383472166546E+03 -0.15924E-02 -0.88127E-05 318 0.174E-02 0.967E-03
DAV: 26 -0.383472747126E+03 -0.58058E-03 -0.20359E-05 273 0.106E-02 0.459E-03
DAV: 27 -0.383473054600E+03 -0.30747E-03 -0.10637E-05 228 0.715E-03 0.647E-03
DAV: 28 -0.383473254848E+03 -0.20025E-03 -0.71125E-06 210 0.485E-03 0.252E-03
DAV: 29 -0.383473333027E+03 -0.78179E-04 -0.31711E-06 237 0.333E-03 0.226E-03
DAV: 30 -0.383473383962E+03 -0.50935E-04 -0.21234E-06 210 0.288E-03 0.194E-03
DAV: 31 -0.383473405798E+03 -0.21835E-04 -0.98294E-07 228 0.223E-03 0.158E-03
DAV: 32 -0.383473419434E+03 -0.13636E-04 -0.80181E-07 219 0.224E-03 0.140E-03
DAV: 33 -0.383473426200E+03 -0.67662E-05 -0.34188E-07 219 0.123E-03
1 F= -.38347343E+03 E0= -.38349018E+03 d E =0.502489E-01