iterations/neb0_image02_iter12_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 0.161790050470E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296715318639E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358031018137E+03 -0.65475E+03 -0.65104E+03 364 0.123E+02
DAV: 4 -0.433480925279E+03 -0.75450E+02 -0.75136E+02 316 0.520E+01
DAV: 5 -0.435192156043E+03 -0.17112E+01 -0.17085E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389124771856E+03 0.46067E+02 -0.15033E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607331481E+03 0.35174E+01 -0.12469E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384163111944E+03 0.14442E+01 -0.24782E+00 332 0.383E+00 0.430E+00
DAV: 9 -0.383588345903E+03 0.57477E+00 -0.71426E-01 324 0.199E+00 0.118E+00
DAV: 10 -0.383545912091E+03 0.42434E-01 -0.53851E-01 340 0.101E+00 0.786E-01
DAV: 11 -0.383519462933E+03 0.26449E-01 -0.30815E-02 324 0.480E-01 0.606E-01
DAV: 12 -0.383494810754E+03 0.24652E-01 -0.11972E-01 356 0.697E-01 0.799E-01
DAV: 13 -0.383486957830E+03 0.78529E-02 -0.69788E-02 324 0.380E-01 0.466E-01
DAV: 14 -0.383484833867E+03 0.21240E-02 -0.14416E-02 300 0.253E-01 0.371E-01
DAV: 15 -0.383488383074E+03 -0.35492E-02 -0.62214E-03 316 0.213E-01 0.265E-01
DAV: 16 -0.383500012016E+03 -0.11629E-01 -0.18048E-02 316 0.276E-01 0.239E-01
DAV: 17 -0.383507660911E+03 -0.76489E-02 -0.37676E-03 324 0.182E-01 0.196E-01
DAV: 18 -0.383513710338E+03 -0.60494E-02 -0.12305E-03 284 0.887E-02 0.944E-02
DAV: 19 -0.383526090153E+03 -0.12380E-01 -0.20681E-03 292 0.944E-02 0.758E-02
DAV: 20 -0.383530882340E+03 -0.47922E-02 -0.49709E-04 316 0.556E-02 0.622E-02
DAV: 21 -0.383534408180E+03 -0.35258E-02 -0.31143E-04 348 0.517E-02 0.476E-02
DAV: 22 -0.383539207569E+03 -0.47994E-02 -0.26971E-04 300 0.356E-02 0.275E-02
DAV: 23 -0.383541732280E+03 -0.25247E-02 -0.13377E-04 316 0.242E-02 0.145E-02
DAV: 24 -0.383543701622E+03 -0.19693E-02 -0.11744E-04 300 0.247E-02 0.114E-02
DAV: 25 -0.383544202350E+03 -0.50073E-03 -0.28917E-05 292 0.136E-02 0.871E-03
DAV: 26 -0.383544499409E+03 -0.29706E-03 -0.87418E-06 220 0.868E-03 0.825E-03
DAV: 27 -0.383544827165E+03 -0.32776E-03 -0.26469E-05 268 0.129E-02 0.109E-02
DAV: 28 -0.383544809720E+03 0.17445E-04 -0.57383E-06 236 0.555E-03 0.117E-02
DAV: 29 -0.383544806938E+03 0.27816E-05 -0.96099E-07 228 0.301E-03
1 F= -.38354481E+03 E0= -.38355926E+03 d E =0.433499E-01