iterations/neb0_image05_iter23_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 0.145036564979E+04 0.14504E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232544899547E+03 -0.12178E+04 -0.11429E+04 417 0.163E+02
DAV: 3 -0.364883579910E+03 -0.59743E+03 -0.59415E+03 354 0.114E+02
DAV: 4 -0.433305636424E+03 -0.68422E+02 -0.68178E+02 318 0.494E+01
DAV: 5 -0.434804073895E+03 -0.14984E+01 -0.14959E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388951277617E+03 0.45853E+02 -0.14807E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385516831161E+03 0.34344E+01 -0.13399E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384060854114E+03 0.14560E+01 -0.23522E+00 345 0.389E+00 0.435E+00
DAV: 9 -0.383520314004E+03 0.54054E+00 -0.15592E+00 327 0.239E+00 0.127E+00
DAV: 10 -0.383437759510E+03 0.82554E-01 -0.15976E-01 336 0.112E+00 0.933E-01
DAV: 11 -0.383409706230E+03 0.28053E-01 -0.12060E-01 345 0.860E-01 0.943E-01
DAV: 12 -0.383391976393E+03 0.17730E-01 -0.21158E-01 336 0.623E-01 0.592E-01
DAV: 13 -0.383377498603E+03 0.14478E-01 -0.37757E-02 327 0.442E-01 0.744E-01
DAV: 14 -0.383367815904E+03 0.96827E-02 -0.13464E-01 381 0.429E-01 0.469E-01
DAV: 15 -0.383369000701E+03 -0.11848E-02 -0.49487E-02 309 0.429E-01 0.610E-01
DAV: 16 -0.383368384833E+03 0.61587E-03 -0.62173E-03 318 0.203E-01 0.577E-01
DAV: 17 -0.383370656369E+03 -0.22715E-02 -0.57376E-03 327 0.230E-01 0.174E-01
DAV: 18 -0.383379489393E+03 -0.88330E-02 -0.41933E-03 291 0.173E-01 0.124E-01
DAV: 19 -0.383388237348E+03 -0.87480E-02 -0.31441E-03 354 0.134E-01 0.250E-01
DAV: 20 -0.383397474217E+03 -0.92369E-02 -0.25824E-03 309 0.124E-01 0.108E-01
DAV: 21 -0.383404913406E+03 -0.74392E-02 -0.94323E-04 327 0.866E-02 0.941E-02
DAV: 22 -0.383408809492E+03 -0.38961E-02 -0.37800E-04 336 0.491E-02 0.382E-02
DAV: 23 -0.383412151288E+03 -0.33418E-02 -0.20208E-04 318 0.332E-02 0.232E-02
DAV: 24 -0.383413950654E+03 -0.17994E-02 -0.68067E-05 309 0.210E-02 0.495E-02
DAV: 25 -0.383415961061E+03 -0.20104E-02 -0.10930E-04 300 0.206E-02 0.285E-02
DAV: 26 -0.383416871809E+03 -0.91075E-03 -0.45385E-05 300 0.134E-02 0.139E-02
DAV: 27 -0.383417429684E+03 -0.55787E-03 -0.20047E-05 246 0.956E-03 0.793E-03
DAV: 28 -0.383417718077E+03 -0.28839E-03 -0.97143E-06 219 0.732E-03 0.420E-03
DAV: 29 -0.383417897407E+03 -0.17933E-03 -0.55592E-06 210 0.523E-03 0.481E-03
DAV: 30 -0.383418005994E+03 -0.10859E-03 -0.52996E-06 219 0.476E-03 0.635E-03
DAV: 31 -0.383418023500E+03 -0.17506E-04 -0.13844E-06 237 0.286E-03 0.500E-03
DAV: 32 -0.383418060215E+03 -0.36714E-04 -0.15309E-06 201 0.284E-03 0.150E-03
DAV: 33 -0.383418077388E+03 -0.17173E-04 -0.91647E-07 228 0.260E-03 0.987E-04
DAV: 34 -0.383418086097E+03 -0.87094E-05 -0.40420E-07 210 0.138E-03
1 F= -.38341809E+03 E0= -.38343484E+03 d E =0.502484E-01