./iterations/neb0_image02_iter5_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 0.144802310178E+04 0.14480E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224454348397E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362843376003E+03 -0.58730E+03 -0.58416E+03 345 0.114E+02
DAV: 4 -0.433456625288E+03 -0.70613E+02 -0.70375E+02 309 0.508E+01
DAV: 5 -0.435040817543E+03 -0.15842E+01 -0.15816E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389085455344E+03 0.45955E+02 -0.14800E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385618900545E+03 0.34666E+01 -0.13410E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384139935154E+03 0.14790E+01 -0.20119E+00 336 0.380E+00 0.430E+00
DAV: 9 -0.383594482871E+03 0.54545E+00 -0.13140E+00 345 0.233E+00 0.119E+00
DAV: 10 -0.383530830825E+03 0.63652E-01 -0.14913E-01 327 0.103E+00 0.100E+00
DAV: 11 -0.383515375042E+03 0.15456E-01 -0.32889E-01 354 0.676E-01 0.107E+00
DAV: 12 -0.383498664002E+03 0.16711E-01 -0.28722E-01 345 0.711E-01 0.113E+00
DAV: 13 -0.383468623064E+03 0.30041E-01 -0.65196E-02 372 0.558E-01 0.484E-01
DAV: 14 -0.383460057243E+03 0.85658E-02 -0.15206E-02 318 0.357E-01 0.258E-01
DAV: 15 -0.383457594470E+03 0.24628E-02 -0.17793E-02 327 0.393E-01 0.330E-01
DAV: 16 -0.383459528382E+03 -0.19339E-02 -0.11715E-02 327 0.224E-01 0.389E-01
DAV: 17 -0.383464087467E+03 -0.45591E-02 -0.41261E-03 291 0.198E-01 0.223E-01
DAV: 18 -0.383473051557E+03 -0.89641E-02 -0.34026E-03 327 0.181E-01 0.935E-02
DAV: 19 -0.383482376986E+03 -0.93254E-02 -0.17521E-03 309 0.128E-01 0.101E-01
DAV: 20 -0.383493695020E+03 -0.11318E-01 -0.12048E-03 300 0.110E-01 0.583E-02
DAV: 21 -0.383498019145E+03 -0.43241E-02 -0.60897E-04 327 0.655E-02 0.438E-02
DAV: 22 -0.383500940316E+03 -0.29212E-02 -0.98729E-05 327 0.283E-02 0.284E-02
DAV: 23 -0.383504551511E+03 -0.36112E-02 -0.15531E-04 309 0.249E-02 0.148E-02
DAV: 24 -0.383507903075E+03 -0.33516E-02 -0.18831E-04 309 0.254E-02 0.163E-02
DAV: 25 -0.383509172227E+03 -0.12692E-02 -0.54993E-05 300 0.148E-02 0.134E-02
DAV: 26 -0.383509682565E+03 -0.51034E-03 -0.18905E-05 255 0.105E-02 0.614E-03
DAV: 27 -0.383510112528E+03 -0.42996E-03 -0.19049E-05 237 0.825E-03 0.521E-03
DAV: 28 -0.383510236779E+03 -0.12425E-03 -0.35961E-06 237 0.406E-03 0.549E-03
DAV: 29 -0.383510374328E+03 -0.13755E-03 -0.45009E-06 201 0.497E-03 0.268E-03
DAV: 30 -0.383510433536E+03 -0.59208E-04 -0.34576E-06 219 0.399E-03 0.236E-03
DAV: 31 -0.383510448221E+03 -0.14685E-04 -0.91832E-07 237 0.229E-03 0.201E-03
DAV: 32 -0.383510458865E+03 -0.10644E-04 -0.50917E-07 210 0.169E-03 0.115E-03
DAV: 33 -0.383510478886E+03 -0.20020E-04 -0.55530E-07 192 0.161E-03 0.601E-04
DAV: 34 -0.383510486891E+03 -0.80051E-05 -0.28673E-07 219 0.103E-03
1 F= -.38351049E+03 E0= -.38352713E+03 d E =0.499407E-01