iterations/neb0_image07_iter15_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 0.145237921662E+04 0.14524E+04 -0.44244E+04 330 0.697E+02
DAV: 2 0.229027013833E+03 -0.12234E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.361147141029E+03 -0.59017E+03 -0.58676E+03 345 0.114E+02
DAV: 4 -0.432925006720E+03 -0.71778E+02 -0.71512E+02 318 0.512E+01
DAV: 5 -0.434546324449E+03 -0.16213E+01 -0.16186E+01 318 0.792E+00 0.427E+01
DAV: 6 -0.388711846129E+03 0.45834E+02 -0.14732E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385243222127E+03 0.34686E+01 -0.13213E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383817232202E+03 0.14260E+01 -0.28708E+00 336 0.398E+00 0.439E+00
DAV: 9 -0.383283478643E+03 0.53375E+00 -0.14288E+00 336 0.240E+00 0.133E+00
DAV: 10 -0.383182931307E+03 0.10055E+00 -0.17753E-01 327 0.120E+00 0.100E+00
DAV: 11 -0.383178989783E+03 0.39415E-02 -0.42865E-01 354 0.112E+00 0.901E-01
DAV: 12 -0.383150808670E+03 0.28181E-01 -0.13443E-01 318 0.642E-01 0.884E-01
DAV: 13 -0.383138772800E+03 0.12036E-01 -0.65276E-02 327 0.328E-01 0.710E-01
DAV: 14 -0.383132690428E+03 0.60824E-02 -0.41361E-02 381 0.384E-01 0.547E-01
DAV: 15 -0.383125837393E+03 0.68530E-02 -0.29766E-02 318 0.464E-01 0.853E-01
DAV: 16 -0.383114614216E+03 0.11223E-01 -0.67654E-02 336 0.352E-01 0.207E-01
DAV: 17 -0.383119204529E+03 -0.45903E-02 -0.61642E-03 291 0.227E-01 0.137E-01
DAV: 18 -0.383128421315E+03 -0.92168E-02 -0.33790E-03 291 0.217E-01 0.123E-01
DAV: 19 -0.383140752598E+03 -0.12331E-01 -0.40625E-03 309 0.202E-01 0.156E-01
DAV: 20 -0.383148871773E+03 -0.81192E-02 -0.34284E-03 327 0.132E-01 0.768E-02
DAV: 21 -0.383154458051E+03 -0.55863E-02 -0.67025E-04 318 0.617E-02 0.105E-01
DAV: 22 -0.383158262590E+03 -0.38045E-02 -0.26278E-04 309 0.437E-02 0.534E-02
DAV: 23 -0.383162899067E+03 -0.46365E-02 -0.26461E-04 309 0.352E-02 0.263E-02
DAV: 24 -0.383165594081E+03 -0.26950E-02 -0.12169E-04 318 0.225E-02 0.196E-02
DAV: 25 -0.383167041296E+03 -0.14472E-02 -0.68778E-05 282 0.146E-02 0.148E-02
DAV: 26 -0.383168072113E+03 -0.10308E-02 -0.50335E-05 291 0.138E-02 0.789E-03
DAV: 27 -0.383168411241E+03 -0.33913E-03 -0.11715E-05 228 0.783E-03 0.883E-03
DAV: 28 -0.383168583145E+03 -0.17190E-03 -0.66567E-06 210 0.496E-03 0.561E-03
DAV: 29 -0.383168703385E+03 -0.12024E-03 -0.63351E-06 219 0.519E-03 0.452E-03
DAV: 30 -0.383168766627E+03 -0.63241E-04 -0.22017E-06 219 0.371E-03 0.251E-03
DAV: 31 -0.383168797166E+03 -0.30539E-04 -0.22210E-06 210 0.365E-03 0.253E-03
DAV: 32 -0.383168814527E+03 -0.17361E-04 -0.12179E-06 219 0.286E-03 0.218E-03
DAV: 33 -0.383168828452E+03 -0.13925E-04 -0.14072E-06 210 0.271E-03 0.275E-03
DAV: 34 -0.383168833853E+03 -0.54016E-05 -0.36147E-07 228 0.156E-03
1 F= -.38316883E+03 E0= -.38318563E+03 d E =0.503955E-01