iterations/neb0_image01_iter2_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 0.161668389420E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296208752161E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358035782457E+03 -0.65424E+03 -0.65068E+03 364 0.123E+02
DAV: 4 -0.433510788676E+03 -0.75475E+02 -0.75172E+02 308 0.519E+01
DAV: 5 -0.435222402741E+03 -0.17116E+01 -0.17087E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389146579311E+03 0.46076E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385619618211E+03 0.35270E+01 -0.12403E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384170953796E+03 0.14487E+01 -0.23124E+00 332 0.378E+00 0.426E+00
DAV: 9 -0.383585680480E+03 0.58527E+00 -0.72441E-01 324 0.202E+00 0.108E+00
DAV: 10 -0.383533362016E+03 0.52318E-01 -0.15711E-01 340 0.874E-01 0.825E-01
DAV: 11 -0.383511346308E+03 0.22016E-01 -0.11593E-01 332 0.495E-01 0.625E-01
DAV: 12 -0.383485606838E+03 0.25739E-01 -0.38542E-02 308 0.492E-01 0.417E-01
DAV: 13 -0.383481648389E+03 0.39584E-02 -0.32447E-02 316 0.368E-01 0.314E-01
DAV: 14 -0.383483559006E+03 -0.19106E-02 -0.18812E-02 324 0.249E-01 0.217E-01
DAV: 15 -0.383491765518E+03 -0.82065E-02 -0.73450E-03 300 0.219E-01 0.238E-01
DAV: 16 -0.383504292372E+03 -0.12527E-01 -0.48813E-03 292 0.187E-01 0.166E-01
DAV: 17 -0.383517251050E+03 -0.12959E-01 -0.30251E-03 308 0.148E-01 0.128E-01
DAV: 18 -0.383523489662E+03 -0.62386E-02 -0.83012E-04 316 0.733E-02 0.390E-02
DAV: 19 -0.383531284675E+03 -0.77950E-02 -0.48393E-04 308 0.473E-02 0.254E-02
DAV: 20 -0.383538097004E+03 -0.68123E-02 -0.41910E-04 316 0.395E-02 0.389E-02
DAV: 21 -0.383541317211E+03 -0.32202E-02 -0.19512E-04 308 0.333E-02 0.167E-02
DAV: 22 -0.383543258980E+03 -0.19418E-02 -0.12348E-04 316 0.220E-02 0.106E-02
DAV: 23 -0.383543909241E+03 -0.65026E-03 -0.24715E-05 252 0.120E-02 0.909E-03
DAV: 24 -0.383544345958E+03 -0.43672E-03 -0.27380E-05 268 0.116E-02 0.489E-03
DAV: 25 -0.383544497168E+03 -0.15121E-03 -0.38931E-06 236 0.625E-03 0.331E-03
DAV: 26 -0.383544602431E+03 -0.10526E-03 -0.37632E-06 212 0.417E-03 0.278E-03
DAV: 27 -0.383544653407E+03 -0.50976E-04 -0.99504E-07 228 0.252E-03 0.163E-03
DAV: 28 -0.383544720224E+03 -0.66817E-04 -0.29456E-06 188 0.382E-03 0.183E-03
DAV: 29 -0.383544729726E+03 -0.95016E-05 -0.60875E-07 228 0.248E-03
1 F= -.38354473E+03 E0= -.38355757E+03 d E =0.385252E-01