iterations/neb0_image09_iter49_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 0.144248958900E+04 0.14425E+04 -0.44154E+04 330 0.697E+02
DAV: 2 0.229374626031E+03 -0.12131E+04 -0.11388E+04 426 0.163E+02
DAV: 3 -0.357281604423E+03 -0.58666E+03 -0.58271E+03 363 0.114E+02
DAV: 4 -0.426003401499E+03 -0.68722E+02 -0.68390E+02 300 0.489E+01
DAV: 5 -0.427599673028E+03 -0.15963E+01 -0.15929E+01 354 0.766E+00 0.426E+01
DAV: 6 -0.381845529383E+03 0.45754E+02 -0.15134E+02 309 0.292E+01 0.210E+01
DAV: 7 -0.378607047611E+03 0.32385E+01 -0.12179E+01 336 0.802E+00 0.104E+01
DAV: 8 -0.377138107427E+03 0.14689E+01 -0.18341E+00 327 0.377E+00 0.423E+00
DAV: 9 -0.376584998123E+03 0.55311E+00 -0.56778E-01 327 0.186E+00 0.905E-01
DAV: 10 -0.376527055925E+03 0.57942E-01 -0.89667E-02 345 0.885E-01 0.618E-01
DAV: 11 -0.376495628591E+03 0.31427E-01 -0.20544E-02 318 0.448E-01 0.361E-01
DAV: 12 -0.376477070871E+03 0.18558E-01 -0.15102E-02 309 0.400E-01 0.185E-01
DAV: 13 -0.376476902437E+03 0.16843E-03 -0.12368E-02 318 0.383E-01 0.139E-01
DAV: 14 -0.376492875625E+03 -0.15973E-01 -0.90736E-03 309 0.340E-01 0.827E-02
DAV: 15 -0.376501124371E+03 -0.82487E-02 -0.37049E-03 318 0.182E-01 0.714E-02
DAV: 16 -0.376507973100E+03 -0.68487E-02 -0.75585E-04 327 0.681E-02 0.511E-02
DAV: 17 -0.376515849834E+03 -0.78767E-02 -0.36206E-04 318 0.457E-02 0.289E-02
DAV: 18 -0.376521863791E+03 -0.60140E-02 -0.28529E-04 318 0.335E-02 0.191E-02
DAV: 19 -0.376527943252E+03 -0.60795E-02 -0.46164E-04 318 0.391E-02 0.132E-02
DAV: 20 -0.376529031368E+03 -0.10881E-02 -0.33327E-05 300 0.126E-02 0.109E-02
DAV: 21 -0.376530231809E+03 -0.12004E-02 -0.55114E-05 282 0.153E-02 0.609E-03
DAV: 22 -0.376530881270E+03 -0.64946E-03 -0.22969E-05 246 0.100E-02 0.444E-03
DAV: 23 -0.376531168386E+03 -0.28712E-03 -0.99901E-06 219 0.734E-03 0.351E-03
DAV: 24 -0.376531317888E+03 -0.14950E-03 -0.52415E-06 219 0.580E-03 0.185E-03
DAV: 25 -0.376531413029E+03 -0.95141E-04 -0.42986E-06 210 0.510E-03 0.130E-03
DAV: 26 -0.376531449611E+03 -0.36583E-04 -0.18637E-06 228 0.279E-03 0.107E-03
DAV: 27 -0.376531471142E+03 -0.21531E-04 -0.98366E-07 219 0.205E-03 0.738E-04
DAV: 28 -0.376531488353E+03 -0.17210E-04 -0.94108E-07 219 0.240E-03 0.114E-03
DAV: 29 -0.376531493558E+03 -0.52056E-05 -0.35834E-07 228 0.177E-03
1 F= -.37653149E+03 E0= -.37653536E+03 d E =0.115958E-01