./iterations/neb0_image05_iter19_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145050556795E+04 0.14505E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.232510410493E+03 -0.12180E+04 -0.11429E+04 417 0.163E+02
DAV: 3 -0.361102615135E+03 -0.59361E+03 -0.59039E+03 345 0.114E+02
DAV: 4 -0.433176937197E+03 -0.72074E+02 -0.71830E+02 309 0.515E+01
DAV: 5 -0.434823982088E+03 -0.16470E+01 -0.16442E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388967791232E+03 0.45856E+02 -0.14716E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385512167161E+03 0.34556E+01 -0.13414E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384046360141E+03 0.14658E+01 -0.20645E+00 345 0.385E+00 0.430E+00
DAV: 9 -0.383494152654E+03 0.55221E+00 -0.10042E+00 327 0.224E+00 0.108E+00
DAV: 10 -0.383433961883E+03 0.60191E-01 -0.13655E-01 336 0.100E+00 0.958E-01
DAV: 11 -0.383418620627E+03 0.15341E-01 -0.28862E-01 372 0.667E-01 0.921E-01
DAV: 12 -0.383408366049E+03 0.10255E-01 -0.30220E-01 327 0.653E-01 0.894E-01
DAV: 13 -0.383379117999E+03 0.29248E-01 -0.24535E-02 345 0.476E-01 0.580E-01
DAV: 14 -0.383371567290E+03 0.75507E-02 -0.33075E-02 336 0.409E-01 0.344E-01
DAV: 15 -0.383368853422E+03 0.27139E-02 -0.19981E-02 345 0.384E-01 0.307E-01
DAV: 16 -0.383371739538E+03 -0.28861E-02 -0.63704E-03 336 0.277E-01 0.215E-01
DAV: 17 -0.383378341541E+03 -0.66020E-02 -0.30763E-03 291 0.174E-01 0.185E-01
DAV: 18 -0.383394354304E+03 -0.16013E-01 -0.47010E-03 327 0.230E-01 0.125E-01
DAV: 19 -0.383400065464E+03 -0.57112E-02 -0.21291E-03 318 0.133E-01 0.109E-01
DAV: 20 -0.383404126608E+03 -0.40611E-02 -0.44285E-04 336 0.644E-02 0.450E-02
DAV: 21 -0.383411091483E+03 -0.69649E-02 -0.57160E-04 309 0.514E-02 0.537E-02
DAV: 22 -0.383415108589E+03 -0.40171E-02 -0.23571E-04 336 0.351E-02 0.222E-02
DAV: 23 -0.383417279307E+03 -0.21707E-02 -0.10293E-04 300 0.244E-02 0.178E-02
DAV: 24 -0.383419162854E+03 -0.18835E-02 -0.93811E-05 309 0.194E-02 0.109E-02
DAV: 25 -0.383420260256E+03 -0.10974E-02 -0.48304E-05 282 0.141E-02 0.789E-03
DAV: 26 -0.383420631726E+03 -0.37147E-03 -0.13674E-05 237 0.947E-03 0.540E-03
DAV: 27 -0.383420957732E+03 -0.32601E-03 -0.14638E-05 219 0.698E-03 0.495E-03
DAV: 28 -0.383421100930E+03 -0.14320E-03 -0.47222E-06 228 0.475E-03 0.227E-03
DAV: 29 -0.383421163990E+03 -0.63060E-04 -0.25339E-06 228 0.339E-03 0.296E-03
DAV: 30 -0.383421197287E+03 -0.33297E-04 -0.13351E-06 210 0.225E-03 0.135E-03
DAV: 31 -0.383421219473E+03 -0.22185E-04 -0.92761E-07 219 0.209E-03 0.682E-04
DAV: 32 -0.383421230587E+03 -0.11115E-04 -0.58053E-07 210 0.157E-03 0.756E-04
DAV: 33 -0.383421233849E+03 -0.32621E-05 -0.19017E-07 228 0.899E-04
1 F= -.38342123E+03 E0= -.38343428E+03 d E =0.391411E-01