./iterations/neb0_image09_iter16_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 0.145392518380E+04 0.14539E+04 -0.44275E+04 330 0.697E+02
DAV: 2 0.231697812091E+03 -0.12222E+04 -0.11469E+04 426 0.163E+02
DAV: 3 -0.359610653992E+03 -0.59131E+03 -0.58781E+03 345 0.114E+02
DAV: 4 -0.432432119187E+03 -0.72821E+02 -0.72525E+02 318 0.514E+01
DAV: 5 -0.434092824604E+03 -0.16607E+01 -0.16577E+01 318 0.802E+00 0.427E+01
DAV: 6 -0.388248321137E+03 0.45845E+02 -0.14742E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.384775860128E+03 0.34725E+01 -0.13045E+01 345 0.786E+00 0.104E+01
DAV: 8 -0.383313346577E+03 0.14625E+01 -0.18747E+00 345 0.387E+00 0.433E+00
DAV: 9 -0.382805642209E+03 0.50770E+00 -0.19641E+00 345 0.240E+00 0.125E+00
DAV: 10 -0.382728062240E+03 0.77580E-01 -0.23851E-01 327 0.110E+00 0.107E+00
DAV: 11 -0.382706604479E+03 0.21458E-01 -0.16560E-01 336 0.603E-01 0.829E-01
DAV: 12 -0.382666176707E+03 0.40428E-01 -0.81740E-02 354 0.613E-01 0.473E-01
DAV: 13 -0.382651337689E+03 0.14839E-01 -0.30834E-02 318 0.489E-01 0.732E-01
DAV: 14 -0.382647118332E+03 0.42194E-02 -0.12094E-01 336 0.425E-01 0.467E-01
DAV: 15 -0.382641876373E+03 0.52420E-02 -0.22117E-02 309 0.391E-01 0.360E-01
DAV: 16 -0.382642819217E+03 -0.94284E-03 -0.16165E-02 327 0.217E-01 0.377E-01
DAV: 17 -0.382647566364E+03 -0.47471E-02 -0.10129E-02 291 0.203E-01 0.138E-01
DAV: 18 -0.382656398529E+03 -0.88322E-02 -0.31725E-03 309 0.173E-01 0.852E-02
DAV: 19 -0.382665839314E+03 -0.94408E-02 -0.19643E-03 300 0.143E-01 0.696E-02
DAV: 20 -0.382675183065E+03 -0.93438E-02 -0.12670E-03 327 0.107E-01 0.429E-02
DAV: 21 -0.382680025172E+03 -0.48421E-02 -0.43924E-04 318 0.536E-02 0.392E-02
DAV: 22 -0.382684460148E+03 -0.44350E-02 -0.21992E-04 318 0.324E-02 0.326E-02
DAV: 23 -0.382688391511E+03 -0.39314E-02 -0.27117E-04 291 0.296E-02 0.242E-02
DAV: 24 -0.382690193875E+03 -0.18024E-02 -0.10438E-04 327 0.205E-02 0.137E-02
DAV: 25 -0.382690832124E+03 -0.63825E-03 -0.35530E-05 255 0.123E-02 0.140E-02
DAV: 26 -0.382691220493E+03 -0.38837E-03 -0.20512E-05 228 0.949E-03 0.470E-03
DAV: 27 -0.382691588995E+03 -0.36850E-03 -0.13528E-05 219 0.700E-03 0.610E-03
DAV: 28 -0.382691722731E+03 -0.13374E-03 -0.67108E-06 228 0.476E-03 0.325E-03
DAV: 29 -0.382691818273E+03 -0.95542E-04 -0.36696E-06 192 0.403E-03 0.368E-03
DAV: 30 -0.382691852205E+03 -0.33932E-04 -0.20554E-06 228 0.312E-03 0.124E-03
DAV: 31 -0.382691874992E+03 -0.22788E-04 -0.15256E-06 192 0.304E-03 0.192E-03
DAV: 32 -0.382691888532E+03 -0.13539E-04 -0.68856E-07 219 0.184E-03 0.108E-03
DAV: 33 -0.382691892768E+03 -0.42362E-05 -0.28693E-07 219 0.109E-03
1 F= -.38269189E+03 E0= -.38270870E+03 d E =0.504304E-01