iterations/neb0_image05_iter23_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161950753826E+04 0.16195E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.299935244571E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358466296224E+03 -0.65840E+03 -0.65491E+03 364 0.123E+02
DAV: 4 -0.433365511575E+03 -0.74899E+02 -0.74622E+02 308 0.527E+01
DAV: 5 -0.435027040901E+03 -0.16615E+01 -0.16588E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389014734762E+03 0.46012E+02 -0.14967E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385522877876E+03 0.34919E+01 -0.12782E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384104416267E+03 0.14185E+01 -0.28425E+00 332 0.392E+00 0.435E+00
DAV: 9 -0.383526439296E+03 0.57798E+00 -0.65075E-01 332 0.199E+00 0.103E+00
DAV: 10 -0.383473631840E+03 0.52807E-01 -0.22691E-01 332 0.993E-01 0.817E-01
DAV: 11 -0.383449919099E+03 0.23713E-01 -0.40213E-02 316 0.476E-01 0.618E-01
DAV: 12 -0.383445935396E+03 0.39837E-02 -0.16825E-01 404 0.539E-01 0.749E-01
DAV: 13 -0.383428958266E+03 0.16977E-01 -0.10551E-01 308 0.433E-01 0.577E-01
DAV: 14 -0.383425842216E+03 0.31161E-02 -0.98428E-02 364 0.411E-01 0.610E-01
DAV: 15 -0.383427506077E+03 -0.16639E-02 -0.74435E-02 308 0.341E-01 0.527E-01
DAV: 16 -0.383430256181E+03 -0.27501E-02 -0.21563E-02 332 0.220E-01 0.340E-01
DAV: 17 -0.383438916325E+03 -0.86601E-02 -0.12057E-02 284 0.183E-01 0.271E-01
DAV: 18 -0.383451436375E+03 -0.12520E-01 -0.39653E-03 300 0.183E-01 0.155E-01
DAV: 19 -0.383457660833E+03 -0.62245E-02 -0.12539E-03 324 0.943E-02 0.134E-01
DAV: 20 -0.383464596463E+03 -0.69356E-02 -0.11212E-03 300 0.676E-02 0.788E-02
DAV: 21 -0.383470480900E+03 -0.58844E-02 -0.51200E-04 332 0.580E-02 0.489E-02
DAV: 22 -0.383472783498E+03 -0.23026E-02 -0.22294E-04 348 0.411E-02 0.569E-02
DAV: 23 -0.383473025108E+03 -0.24161E-03 -0.47134E-05 308 0.160E-02 0.590E-02
DAV: 24 -0.383473115080E+03 -0.89971E-04 -0.32889E-06 236 0.434E-03 0.615E-02
DAV: 25 -0.383473872421E+03 -0.75734E-03 -0.17825E-04 324 0.377E-02 0.602E-02
DAV: 26 -0.383475628761E+03 -0.17563E-02 -0.43687E-04 380 0.574E-02 0.776E-02
DAV: 27 -0.383477346395E+03 -0.17176E-02 -0.27667E-04 316 0.429E-02 0.730E-02
DAV: 28 -0.383479186103E+03 -0.18397E-02 -0.12797E-04 348 0.365E-02 0.727E-02
DAV: 29 -0.383481387967E+03 -0.22019E-02 -0.32454E-04 356 0.488E-02 0.439E-02
DAV: 30 -0.383482159332E+03 -0.77137E-03 -0.14860E-04 308 0.284E-02 0.219E-02
DAV: 31 -0.383482294539E+03 -0.13521E-03 -0.12851E-05 252 0.815E-03 0.148E-02
DAV: 32 -0.383482551816E+03 -0.25728E-03 -0.17391E-05 220 0.103E-02 0.932E-03
DAV: 33 -0.383482753112E+03 -0.20130E-03 -0.15892E-05 252 0.958E-03 0.478E-03
DAV: 34 -0.383482803845E+03 -0.50733E-04 -0.45998E-06 236 0.692E-03 0.390E-03
DAV: 35 -0.383482862240E+03 -0.58395E-04 -0.61693E-06 212 0.104E-02 0.442E-03
DAV: 36 -0.383482897929E+03 -0.35689E-04 -0.13010E-05 252 0.874E-03 0.342E-03
DAV: 37 -0.383482915853E+03 -0.17924E-04 -0.24906E-06 228 0.420E-03 0.249E-03
DAV: 38 -0.383482933291E+03 -0.17438E-04 -0.82019E-07 212 0.207E-03 0.192E-03
DAV: 39 -0.383482954299E+03 -0.21008E-04 -0.64102E-07 220 0.155E-03 0.123E-03
DAV: 40 -0.383482960399E+03 -0.60997E-05 -0.23862E-07 228 0.121E-03
1 F= -.38348296E+03 E0= -.38349746E+03 d E =0.434873E-01