iterations/neb0_image07_iter34_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 0.144871226203E+04 0.14487E+04 -0.44235E+04 330 0.697E+02
DAV: 2 0.230913848223E+03 -0.12178E+04 -0.11420E+04 417 0.163E+02
DAV: 3 -0.364651174057E+03 -0.59557E+03 -0.59214E+03 354 0.114E+02
DAV: 4 -0.432846270916E+03 -0.68195E+02 -0.67959E+02 300 0.493E+01
DAV: 5 -0.434375376061E+03 -0.15291E+01 -0.15259E+01 336 0.765E+00 0.426E+01
DAV: 6 -0.388638449897E+03 0.45737E+02 -0.14865E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385209260872E+03 0.34292E+01 -0.12965E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383740473770E+03 0.14688E+01 -0.18485E+00 327 0.380E+00 0.430E+00
DAV: 9 -0.383215229128E+03 0.52524E+00 -0.14714E+00 336 0.217E+00 0.109E+00
DAV: 10 -0.383139159468E+03 0.76070E-01 -0.11792E-01 318 0.962E-01 0.995E-01
DAV: 11 -0.383107761488E+03 0.31398E-01 -0.19236E-01 345 0.791E-01 0.893E-01
DAV: 12 -0.383077870851E+03 0.29891E-01 -0.62828E-02 309 0.509E-01 0.423E-01
DAV: 13 -0.383072667576E+03 0.52033E-02 -0.13365E-01 327 0.500E-01 0.875E-01
DAV: 14 -0.383057541017E+03 0.15127E-01 -0.14791E-02 309 0.332E-01 0.428E-01
DAV: 15 -0.383060577919E+03 -0.30369E-02 -0.18150E-02 300 0.309E-01 0.236E-01
DAV: 16 -0.383064766009E+03 -0.41881E-02 -0.41070E-03 336 0.198E-01 0.125E-01
DAV: 17 -0.383075266523E+03 -0.10501E-01 -0.35674E-03 282 0.173E-01 0.163E-01
DAV: 18 -0.383083688229E+03 -0.84217E-02 -0.46346E-03 327 0.150E-01 0.119E-01
DAV: 19 -0.383091747752E+03 -0.80595E-02 -0.27495E-03 309 0.131E-01 0.546E-02
DAV: 20 -0.383097569749E+03 -0.58220E-02 -0.87706E-04 336 0.804E-02 0.920E-02
DAV: 21 -0.383102270192E+03 -0.47004E-02 -0.28456E-04 318 0.397E-02 0.506E-02
DAV: 22 -0.383107425860E+03 -0.51557E-02 -0.49091E-04 291 0.395E-02 0.260E-02
DAV: 23 -0.383109775176E+03 -0.23493E-02 -0.14504E-04 327 0.267E-02 0.325E-02
DAV: 24 -0.383111016776E+03 -0.12416E-02 -0.75088E-05 318 0.155E-02 0.122E-02
DAV: 25 -0.383111768834E+03 -0.75206E-03 -0.24542E-05 228 0.971E-03 0.142E-02
DAV: 26 -0.383112418208E+03 -0.64937E-03 -0.68752E-05 282 0.135E-02 0.112E-02
DAV: 27 -0.383112506624E+03 -0.88416E-04 -0.45093E-06 246 0.571E-03 0.870E-03
DAV: 28 -0.383112634579E+03 -0.12796E-03 -0.35123E-06 192 0.472E-03 0.737E-03
DAV: 29 -0.383112734204E+03 -0.99625E-04 -0.62815E-06 219 0.477E-03 0.188E-03
DAV: 30 -0.383112766448E+03 -0.32244E-04 -0.17544E-06 228 0.315E-03 0.275E-03
DAV: 31 -0.383112799303E+03 -0.32855E-04 -0.10932E-06 192 0.202E-03 0.104E-03
DAV: 32 -0.383112818197E+03 -0.18894E-04 -0.63630E-07 219 0.146E-03 0.534E-04
DAV: 33 -0.383112832213E+03 -0.14016E-04 -0.52036E-07 201 0.122E-03 0.302E-04
DAV: 34 -0.383112837668E+03 -0.54555E-05 -0.21013E-07 228 0.812E-04
1 F= -.38311284E+03 E0= -.38312999E+03 d E =0.514477E-01