iterations/neb0_image01_iter9_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 0.161669469194E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296219335160E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358028954838E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433511112812E+03 -0.75482E+02 -0.75179E+02 308 0.519E+01
DAV: 5 -0.435223221543E+03 -0.17121E+01 -0.17092E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389143749436E+03 0.46079E+02 -0.15046E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385616192426E+03 0.35276E+01 -0.12394E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384161134058E+03 0.14551E+01 -0.23635E+00 332 0.380E+00 0.430E+00
DAV: 9 -0.383607197173E+03 0.55394E+00 -0.10009E+00 324 0.204E+00 0.109E+00
DAV: 10 -0.383533034527E+03 0.74163E-01 -0.13905E-01 332 0.945E-01 0.762E-01
DAV: 11 -0.383507898359E+03 0.25136E-01 -0.34272E-02 324 0.473E-01 0.499E-01
DAV: 12 -0.383486991418E+03 0.20907E-01 -0.27441E-02 308 0.425E-01 0.330E-01
DAV: 13 -0.383485653156E+03 0.13383E-02 -0.15290E-02 332 0.332E-01 0.340E-01
DAV: 14 -0.383488291686E+03 -0.26385E-02 -0.42996E-02 300 0.307E-01 0.346E-01
DAV: 15 -0.383492878405E+03 -0.45867E-02 -0.63720E-03 308 0.213E-01 0.294E-01
DAV: 16 -0.383498772129E+03 -0.58937E-02 -0.10814E-02 324 0.185E-01 0.157E-01
DAV: 17 -0.383510786644E+03 -0.12015E-01 -0.59199E-03 308 0.152E-01 0.229E-01
DAV: 18 -0.383519386112E+03 -0.85995E-02 -0.21184E-03 316 0.123E-01 0.918E-02
DAV: 19 -0.383525518762E+03 -0.61326E-02 -0.79125E-04 300 0.805E-02 0.558E-02
DAV: 20 -0.383532343672E+03 -0.68249E-02 -0.59670E-04 324 0.619E-02 0.399E-02
DAV: 21 -0.383538493754E+03 -0.61501E-02 -0.38233E-04 316 0.424E-02 0.387E-02
DAV: 22 -0.383541481081E+03 -0.29873E-02 -0.19011E-04 300 0.296E-02 0.138E-02
DAV: 23 -0.383543147838E+03 -0.16668E-02 -0.87387E-05 316 0.191E-02 0.942E-03
DAV: 24 -0.383544336019E+03 -0.11882E-02 -0.58176E-05 284 0.135E-02 0.117E-02
DAV: 25 -0.383544709754E+03 -0.37374E-03 -0.16368E-05 244 0.848E-03 0.318E-03
DAV: 26 -0.383544932003E+03 -0.22225E-03 -0.85209E-06 220 0.577E-03 0.293E-03
DAV: 27 -0.383545004510E+03 -0.72507E-04 -0.23303E-06 236 0.293E-03 0.156E-03
DAV: 28 -0.383545093493E+03 -0.88983E-04 -0.38923E-06 188 0.421E-03 0.207E-03
DAV: 29 -0.383545108940E+03 -0.15447E-04 -0.10591E-06 228 0.217E-03 0.889E-04
DAV: 30 -0.383545119579E+03 -0.10640E-04 -0.54277E-07 212 0.168E-03 0.787E-04
DAV: 31 -0.383545134605E+03 -0.15025E-04 -0.49110E-07 212 0.132E-03 0.322E-04
DAV: 32 -0.383545139042E+03 -0.44367E-05 -0.16149E-07 228 0.707E-04
1 F= -.38354514E+03 E0= -.38355827E+03 d E =0.394008E-01