iterations/neb0_image04_iter15_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 0.161896982137E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298020299048E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354108943396E+03 -0.65213E+03 -0.64855E+03 356 0.123E+02
DAV: 4 -0.433260429015E+03 -0.79151E+02 -0.78811E+02 316 0.540E+01
DAV: 5 -0.435105168277E+03 -0.18447E+01 -0.18425E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389061880025E+03 0.46043E+02 -0.15048E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385567178729E+03 0.34947E+01 -0.12539E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384134589679E+03 0.14326E+01 -0.25354E+00 332 0.386E+00 0.432E+00
DAV: 9 -0.383586399402E+03 0.54819E+00 -0.99971E-01 324 0.205E+00 0.110E+00
DAV: 10 -0.383510412113E+03 0.75987E-01 -0.15036E-01 340 0.965E-01 0.769E-01
DAV: 11 -0.383487046051E+03 0.23366E-01 -0.33867E-02 324 0.464E-01 0.526E-01
DAV: 12 -0.383470903498E+03 0.16143E-01 -0.11324E-01 316 0.511E-01 0.474E-01
DAV: 13 -0.383463797838E+03 0.71057E-02 -0.12161E-02 324 0.315E-01 0.350E-01
DAV: 14 -0.383468467885E+03 -0.46700E-02 -0.34831E-02 332 0.336E-01 0.455E-01
DAV: 15 -0.383467619290E+03 0.84859E-03 -0.92458E-03 300 0.261E-01 0.160E-01
DAV: 16 -0.383475769232E+03 -0.81499E-02 -0.50238E-03 300 0.157E-01 0.138E-01
DAV: 17 -0.383488800170E+03 -0.13031E-01 -0.75050E-03 292 0.171E-01 0.135E-01
DAV: 18 -0.383494505815E+03 -0.57056E-02 -0.32134E-03 324 0.116E-01 0.129E-01
DAV: 19 -0.383502482795E+03 -0.79770E-02 -0.97524E-04 292 0.788E-02 0.631E-02
DAV: 20 -0.383510154757E+03 -0.76720E-02 -0.71570E-04 316 0.549E-02 0.281E-02
DAV: 21 -0.383515254817E+03 -0.51001E-02 -0.30117E-04 308 0.366E-02 0.213E-02
DAV: 22 -0.383518458059E+03 -0.32032E-02 -0.21373E-04 308 0.255E-02 0.178E-02
DAV: 23 -0.383520497859E+03 -0.20398E-02 -0.13714E-04 292 0.215E-02 0.827E-03
DAV: 24 -0.383521155093E+03 -0.65723E-03 -0.40615E-05 276 0.117E-02 0.821E-03
DAV: 25 -0.383521449570E+03 -0.29448E-03 -0.14807E-05 228 0.759E-03 0.787E-03
DAV: 26 -0.383521699790E+03 -0.25022E-03 -0.11970E-05 220 0.850E-03 0.598E-03
DAV: 27 -0.383521776274E+03 -0.76485E-04 -0.28421E-06 220 0.435E-03 0.304E-03
DAV: 28 -0.383521816966E+03 -0.40692E-04 -0.20813E-06 212 0.396E-03 0.198E-03
DAV: 29 -0.383521869924E+03 -0.52957E-04 -0.16413E-06 204 0.267E-03 0.159E-03
DAV: 30 -0.383521887624E+03 -0.17700E-04 -0.70839E-07 228 0.178E-03 0.882E-04
DAV: 31 -0.383521902094E+03 -0.14470E-04 -0.73542E-07 212 0.247E-03 0.142E-03
DAV: 32 -0.383521909978E+03 -0.78847E-05 -0.32276E-07 220 0.139E-03
1 F= -.38352191E+03 E0= -.38353512E+03 d E =0.396347E-01