iterations/neb0_image03_iter31_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 0.144845502135E+04 0.14485E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224598469443E+03 -0.12239E+04 -0.11480E+04 435 0.163E+02
DAV: 3 -0.362442596393E+03 -0.58704E+03 -0.58339E+03 345 0.114E+02
DAV: 4 -0.433342954970E+03 -0.70900E+02 -0.70670E+02 309 0.508E+01
DAV: 5 -0.434934257650E+03 -0.15913E+01 -0.15886E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389037993337E+03 0.45896E+02 -0.14788E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385592000023E+03 0.34460E+01 -0.13663E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384123852644E+03 0.14681E+01 -0.21311E+00 327 0.384E+00 0.433E+00
DAV: 9 -0.383583785530E+03 0.54007E+00 -0.16993E+00 336 0.246E+00 0.136E+00
DAV: 10 -0.383513525162E+03 0.70260E-01 -0.26856E-01 336 0.115E+00 0.103E+00
DAV: 11 -0.383493828932E+03 0.19696E-01 -0.28751E-01 345 0.650E-01 0.976E-01
DAV: 12 -0.383468702862E+03 0.25126E-01 -0.23503E-01 327 0.723E-01 0.909E-01
DAV: 13 -0.383450809265E+03 0.17894E-01 -0.15819E-01 345 0.555E-01 0.639E-01
DAV: 14 -0.383439519974E+03 0.11289E-01 -0.23332E-02 318 0.381E-01 0.321E-01
DAV: 15 -0.383437207817E+03 0.23122E-02 -0.14924E-02 309 0.398E-01 0.187E-01
DAV: 16 -0.383442444818E+03 -0.52370E-02 -0.57156E-03 336 0.235E-01 0.189E-01
DAV: 17 -0.383450664195E+03 -0.82194E-02 -0.26239E-03 300 0.161E-01 0.135E-01
DAV: 18 -0.383459993930E+03 -0.93297E-02 -0.20460E-03 300 0.126E-01 0.723E-02
DAV: 19 -0.383471264414E+03 -0.11270E-01 -0.16106E-03 327 0.130E-01 0.586E-02
DAV: 20 -0.383477355682E+03 -0.60913E-02 -0.87405E-04 327 0.811E-02 0.613E-02
DAV: 21 -0.383481115152E+03 -0.37595E-02 -0.17118E-04 318 0.360E-02 0.429E-02
DAV: 22 -0.383486257409E+03 -0.51423E-02 -0.48718E-04 309 0.520E-02 0.308E-02
DAV: 23 -0.383487368975E+03 -0.11116E-02 -0.43834E-05 309 0.191E-02 0.250E-02
DAV: 24 -0.383488282330E+03 -0.91335E-03 -0.64306E-05 318 0.221E-02 0.116E-02
DAV: 25 -0.383489544166E+03 -0.12618E-02 -0.49050E-05 273 0.144E-02 0.886E-03
DAV: 26 -0.383490066698E+03 -0.52253E-03 -0.18214E-05 264 0.807E-03 0.613E-03
DAV: 27 -0.383490342581E+03 -0.27588E-03 -0.79582E-06 219 0.618E-03 0.249E-03
DAV: 28 -0.383490532387E+03 -0.18981E-03 -0.10063E-05 219 0.727E-03 0.368E-03
DAV: 29 -0.383490593559E+03 -0.61172E-04 -0.23770E-06 228 0.381E-03 0.318E-03
DAV: 30 -0.383490641586E+03 -0.48027E-04 -0.36670E-06 210 0.576E-03 0.148E-03
DAV: 31 -0.383490651420E+03 -0.98344E-05 -0.10145E-06 228 0.275E-03
1 F= -.38349065E+03 E0= -.38350365E+03 d E =0.389992E-01