./iterations/neb0_image09_iter14_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 0.145435670872E+04 0.14544E+04 -0.44276E+04 330 0.697E+02
DAV: 2 0.235824363184E+03 -0.12185E+04 -0.11435E+04 417 0.163E+02
DAV: 3 -0.361432023498E+03 -0.59726E+03 -0.59389E+03 354 0.114E+02
DAV: 4 -0.432527201623E+03 -0.71095E+02 -0.70807E+02 318 0.501E+01
DAV: 5 -0.434110485601E+03 -0.15833E+01 -0.15804E+01 318 0.780E+00 0.428E+01
DAV: 6 -0.388265665517E+03 0.45845E+02 -0.14786E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384797517920E+03 0.34681E+01 -0.13000E+01 336 0.785E+00 0.104E+01
DAV: 8 -0.383341577930E+03 0.14559E+01 -0.19738E+00 345 0.392E+00 0.430E+00
DAV: 9 -0.382803844163E+03 0.53773E+00 -0.86113E-01 336 0.212E+00 0.107E+00
DAV: 10 -0.382744451517E+03 0.59393E-01 -0.22879E-01 336 0.970E-01 0.110E+00
DAV: 11 -0.382716230931E+03 0.28221E-01 -0.96179E-02 354 0.534E-01 0.725E-01
DAV: 12 -0.382709512218E+03 0.67187E-02 -0.90054E-02 372 0.607E-01 0.112E+00
DAV: 13 -0.382679404353E+03 0.30108E-01 -0.92555E-02 345 0.518E-01 0.361E-01
DAV: 14 -0.382668219708E+03 0.11185E-01 -0.23216E-02 309 0.469E-01 0.410E-01
DAV: 15 -0.382667798666E+03 0.42104E-03 -0.19596E-02 318 0.315E-01 0.175E-01
DAV: 16 -0.382675397462E+03 -0.75988E-02 -0.37105E-03 300 0.195E-01 0.152E-01
DAV: 17 -0.382685346326E+03 -0.99489E-02 -0.37627E-03 309 0.187E-01 0.102E-01
DAV: 18 -0.382692949874E+03 -0.76035E-02 -0.27394E-03 300 0.162E-01 0.592E-02
DAV: 19 -0.382702545738E+03 -0.95959E-02 -0.16732E-03 345 0.118E-01 0.638E-02
DAV: 20 -0.382708452504E+03 -0.59068E-02 -0.74014E-04 336 0.585E-02 0.875E-02
DAV: 21 -0.382714207180E+03 -0.57547E-02 -0.44144E-04 300 0.440E-02 0.391E-02
DAV: 22 -0.382717113157E+03 -0.29060E-02 -0.35319E-04 318 0.417E-02 0.361E-02
DAV: 23 -0.382718308813E+03 -0.11957E-02 -0.64703E-05 318 0.187E-02 0.271E-02
DAV: 24 -0.382719596971E+03 -0.12882E-02 -0.80155E-05 291 0.184E-02 0.132E-02
DAV: 25 -0.382720677577E+03 -0.10806E-02 -0.55127E-05 273 0.150E-02 0.112E-02
DAV: 26 -0.382721023924E+03 -0.34635E-03 -0.79455E-06 228 0.749E-03 0.106E-02
DAV: 27 -0.382721248617E+03 -0.22469E-03 -0.26199E-05 237 0.119E-02 0.535E-03
DAV: 28 -0.382721328679E+03 -0.80062E-04 -0.36383E-06 237 0.653E-03 0.283E-03
DAV: 29 -0.382721368148E+03 -0.39469E-04 -0.27178E-06 210 0.416E-03 0.241E-03
DAV: 30 -0.382721432890E+03 -0.64742E-04 -0.13301E-06 201 0.328E-03 0.132E-03
DAV: 31 -0.382721486201E+03 -0.53311E-04 -0.32166E-06 210 0.475E-03 0.260E-03
DAV: 32 -0.382721498056E+03 -0.11855E-04 -0.66021E-07 219 0.270E-03 0.164E-03
DAV: 33 -0.382721507609E+03 -0.95534E-05 -0.19784E-06 201 0.386E-03
1 F= -.38272151E+03 E0= -.38273834E+03 d E =0.505048E-01