iterations/neb0_image02_iter19_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 0.144813180097E+04 0.14481E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224482817827E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362853263240E+03 -0.58734E+03 -0.58419E+03 345 0.114E+02
DAV: 4 -0.433467790939E+03 -0.70615E+02 -0.70377E+02 309 0.508E+01
DAV: 5 -0.435051581398E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389089215085E+03 0.45962E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385620821768E+03 0.34684E+01 -0.13545E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384142751019E+03 0.14781E+01 -0.21019E+00 327 0.384E+00 0.432E+00
DAV: 9 -0.383603750019E+03 0.53900E+00 -0.16750E+00 345 0.243E+00 0.138E+00
DAV: 10 -0.383539343924E+03 0.64406E-01 -0.36011E-01 327 0.115E+00 0.105E+00
DAV: 11 -0.383511010258E+03 0.28334E-01 -0.21793E-01 345 0.645E-01 0.969E-01
DAV: 12 -0.383489733236E+03 0.21277E-01 -0.25352E-01 336 0.717E-01 0.887E-01
DAV: 13 -0.383474275729E+03 0.15458E-01 -0.17071E-01 354 0.543E-01 0.723E-01
DAV: 14 -0.383460606659E+03 0.13669E-01 -0.60982E-02 345 0.391E-01 0.410E-01
DAV: 15 -0.383457833968E+03 0.27727E-02 -0.16158E-02 309 0.401E-01 0.305E-01
DAV: 16 -0.383462277457E+03 -0.44435E-02 -0.11001E-02 336 0.255E-01 0.213E-01
DAV: 17 -0.383469851328E+03 -0.75739E-02 -0.23707E-03 282 0.151E-01 0.144E-01
DAV: 18 -0.383481134049E+03 -0.11283E-01 -0.29733E-03 309 0.150E-01 0.810E-02
DAV: 19 -0.383492134431E+03 -0.11000E-01 -0.15741E-03 318 0.132E-01 0.629E-02
DAV: 20 -0.383498289120E+03 -0.61547E-02 -0.68378E-04 327 0.771E-02 0.542E-02
DAV: 21 -0.383501517456E+03 -0.32283E-02 -0.14182E-04 309 0.310E-02 0.488E-02
DAV: 22 -0.383506956135E+03 -0.54387E-02 -0.43448E-04 300 0.440E-02 0.255E-02
DAV: 23 -0.383508689270E+03 -0.17331E-02 -0.75032E-05 327 0.211E-02 0.184E-02
DAV: 24 -0.383509452402E+03 -0.76313E-03 -0.46018E-05 318 0.189E-02 0.139E-02
DAV: 25 -0.383510216670E+03 -0.76427E-03 -0.21744E-05 237 0.110E-02 0.726E-03
DAV: 26 -0.383510851752E+03 -0.63508E-03 -0.25768E-05 273 0.861E-03 0.715E-03
DAV: 27 -0.383511102348E+03 -0.25060E-03 -0.64947E-06 228 0.710E-03 0.418E-03
DAV: 28 -0.383511282174E+03 -0.17983E-03 -0.73451E-06 219 0.515E-03 0.248E-03
DAV: 29 -0.383511331483E+03 -0.49309E-04 -0.22754E-06 237 0.430E-03 0.228E-03
DAV: 30 -0.383511381152E+03 -0.49669E-04 -0.24340E-06 201 0.352E-03 0.236E-03
DAV: 31 -0.383511394852E+03 -0.13700E-04 -0.84129E-07 228 0.270E-03 0.126E-03
DAV: 32 -0.383511405688E+03 -0.10837E-04 -0.11197E-06 219 0.285E-03 0.108E-03
DAV: 33 -0.383511412571E+03 -0.68827E-05 -0.38324E-07 210 0.191E-03
1 F= -.38351141E+03 E0= -.38352462E+03 d E =0.396114E-01