./iterations/neb0_image04_iter27_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 0.144942697335E+04 0.14494E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225170208379E+03 -0.12243E+04 -0.11495E+04 435 0.163E+02
DAV: 3 -0.362425191423E+03 -0.58760E+03 -0.58429E+03 345 0.114E+02
DAV: 4 -0.433312316265E+03 -0.70887E+02 -0.70627E+02 318 0.509E+01
DAV: 5 -0.434899186100E+03 -0.15869E+01 -0.15844E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389026142760E+03 0.45873E+02 -0.14760E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385577091042E+03 0.34491E+01 -0.13540E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384117094494E+03 0.14600E+01 -0.22943E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383574803071E+03 0.54229E+00 -0.16362E+00 327 0.242E+00 0.130E+00
DAV: 10 -0.383494929885E+03 0.79873E-01 -0.16409E-01 336 0.112E+00 0.910E-01
DAV: 11 -0.383461414064E+03 0.33516E-01 -0.91717E-02 345 0.780E-01 0.742E-01
DAV: 12 -0.383448217320E+03 0.13197E-01 -0.14744E-01 345 0.571E-01 0.540E-01
DAV: 13 -0.383427429828E+03 0.20787E-01 -0.14003E-02 318 0.432E-01 0.223E-01
DAV: 14 -0.383425601402E+03 0.18284E-02 -0.21114E-02 327 0.480E-01 0.486E-01
DAV: 15 -0.383425691109E+03 -0.89706E-04 -0.76133E-03 336 0.271E-01 0.265E-01
DAV: 16 -0.383432608519E+03 -0.69174E-02 -0.48442E-03 300 0.201E-01 0.214E-01
DAV: 17 -0.383438624702E+03 -0.60162E-02 -0.27153E-03 309 0.154E-01 0.140E-01
DAV: 18 -0.383448135384E+03 -0.95107E-02 -0.74237E-03 327 0.185E-01 0.317E-01
DAV: 19 -0.383454169995E+03 -0.60346E-02 -0.46431E-03 354 0.168E-01 0.193E-01
DAV: 20 -0.383455229476E+03 -0.10595E-02 -0.89141E-04 336 0.729E-02 0.161E-01
DAV: 21 -0.383459160403E+03 -0.39309E-02 -0.73354E-04 300 0.543E-02 0.532E-02
DAV: 22 -0.383466115323E+03 -0.69549E-02 -0.58164E-04 345 0.567E-02 0.480E-02
DAV: 23 -0.383469905017E+03 -0.37897E-02 -0.18618E-04 327 0.311E-02 0.502E-02
DAV: 24 -0.383473076066E+03 -0.31710E-02 -0.17572E-04 309 0.259E-02 0.359E-02
DAV: 25 -0.383474210954E+03 -0.11349E-02 -0.60256E-05 300 0.172E-02 0.129E-02
DAV: 26 -0.383474934733E+03 -0.72378E-03 -0.46031E-05 282 0.151E-02 0.124E-02
DAV: 27 -0.383475319271E+03 -0.38454E-03 -0.12935E-05 246 0.835E-03 0.966E-03
DAV: 28 -0.383475609150E+03 -0.28988E-03 -0.12131E-05 219 0.672E-03 0.493E-03
DAV: 29 -0.383475742652E+03 -0.13350E-03 -0.44019E-06 210 0.458E-03 0.366E-03
DAV: 30 -0.383475804627E+03 -0.61975E-04 -0.24636E-06 237 0.370E-03 0.148E-03
DAV: 31 -0.383475845414E+03 -0.40787E-04 -0.19827E-06 219 0.309E-03 0.285E-03
DAV: 32 -0.383475876622E+03 -0.31208E-04 -0.12168E-06 219 0.260E-03 0.165E-03
DAV: 33 -0.383475888995E+03 -0.12372E-04 -0.89260E-07 228 0.204E-03 0.811E-04
DAV: 34 -0.383475894299E+03 -0.53041E-05 -0.37297E-07 228 0.136E-03
1 F= -.38347589E+03 E0= -.38349268E+03 d E =0.503503E-01