iterations/neb0_image02_iter18_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 0.161790829890E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296887308605E+03 -0.13210E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357957075738E+03 -0.65484E+03 -0.65112E+03 364 0.123E+02
DAV: 4 -0.433480083924E+03 -0.75523E+02 -0.75209E+02 316 0.520E+01
DAV: 5 -0.435193307284E+03 -0.17132E+01 -0.17105E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389125450845E+03 0.46068E+02 -0.15037E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385606672154E+03 0.35188E+01 -0.12430E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384164615486E+03 0.14421E+01 -0.22775E+00 332 0.376E+00 0.426E+00
DAV: 9 -0.383581705747E+03 0.58291E+00 -0.71261E-01 324 0.201E+00 0.108E+00
DAV: 10 -0.383530997026E+03 0.50709E-01 -0.17982E-01 340 0.886E-01 0.859E-01
DAV: 11 -0.383510997884E+03 0.19999E-01 -0.20781E-01 316 0.530E-01 0.597E-01
DAV: 12 -0.383490909967E+03 0.20088E-01 -0.33682E-02 324 0.405E-01 0.519E-01
DAV: 13 -0.383480416948E+03 0.10493E-01 -0.70888E-02 308 0.441E-01 0.415E-01
DAV: 14 -0.383480656885E+03 -0.23994E-03 -0.21120E-02 316 0.299E-01 0.205E-01
DAV: 15 -0.383486444567E+03 -0.57877E-02 -0.58232E-03 300 0.213E-01 0.195E-01
DAV: 16 -0.383497804734E+03 -0.11360E-01 -0.37180E-03 300 0.189E-01 0.191E-01
DAV: 17 -0.383508219162E+03 -0.10414E-01 -0.32183E-03 300 0.147E-01 0.190E-01
DAV: 18 -0.383518687549E+03 -0.10468E-01 -0.30409E-03 300 0.131E-01 0.739E-02
DAV: 19 -0.383526658895E+03 -0.79713E-02 -0.85198E-04 316 0.655E-02 0.343E-02
DAV: 20 -0.383533452188E+03 -0.67933E-02 -0.41510E-04 316 0.410E-02 0.202E-02
DAV: 21 -0.383537041871E+03 -0.35897E-02 -0.16612E-04 308 0.246E-02 0.135E-02
DAV: 22 -0.383539648272E+03 -0.26064E-02 -0.14736E-04 284 0.234E-02 0.654E-03
DAV: 23 -0.383540611036E+03 -0.96276E-03 -0.41699E-05 284 0.119E-02 0.887E-03
DAV: 24 -0.383541126934E+03 -0.51590E-03 -0.20144E-05 236 0.111E-02 0.430E-03
DAV: 25 -0.383541400275E+03 -0.27334E-03 -0.10873E-05 220 0.631E-03 0.278E-03
DAV: 26 -0.383541465991E+03 -0.65716E-04 -0.29583E-06 236 0.447E-03 0.155E-03
DAV: 27 -0.383541565047E+03 -0.99056E-04 -0.45065E-06 188 0.472E-03 0.227E-03
DAV: 28 -0.383541591392E+03 -0.26345E-04 -0.14103E-06 220 0.243E-03 0.168E-03
DAV: 29 -0.383541604743E+03 -0.13352E-04 -0.92903E-07 220 0.292E-03 0.648E-04
DAV: 30 -0.383541615127E+03 -0.10383E-04 -0.53561E-07 220 0.171E-03 0.632E-04
DAV: 31 -0.383541621122E+03 -0.59954E-05 -0.21851E-07 212 0.857E-04
1 F= -.38354162E+03 E0= -.38355450E+03 d E =0.386347E-01