iterations/neb0_image01_iter4_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144723602099E+04 0.14472E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224158462618E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363088177456E+03 -0.58725E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433517861140E+03 -0.70430E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435089911026E+03 -0.15720E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102623073E+03 0.45987E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629298577E+03 0.34733E+01 -0.13549E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384150736809E+03 0.14786E+01 -0.20972E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383608638765E+03 0.54210E+00 -0.17279E+00 336 0.242E+00 0.139E+00
DAV: 10 -0.383543387407E+03 0.65251E-01 -0.35134E-01 318 0.115E+00 0.105E+00
DAV: 11 -0.383516191638E+03 0.27196E-01 -0.22652E-01 345 0.645E-01 0.978E-01
DAV: 12 -0.383492341747E+03 0.23850E-01 -0.24320E-01 327 0.708E-01 0.867E-01
DAV: 13 -0.383477838835E+03 0.14503E-01 -0.16570E-01 354 0.536E-01 0.731E-01
DAV: 14 -0.383464606932E+03 0.13232E-01 -0.38418E-02 354 0.395E-01 0.406E-01
DAV: 15 -0.383462027605E+03 0.25793E-02 -0.16580E-02 309 0.375E-01 0.279E-01
DAV: 16 -0.383467248608E+03 -0.52210E-02 -0.96349E-03 327 0.269E-01 0.206E-01
DAV: 17 -0.383474422554E+03 -0.71739E-02 -0.27344E-03 282 0.163E-01 0.162E-01
DAV: 18 -0.383483822575E+03 -0.94000E-02 -0.33271E-03 372 0.190E-01 0.154E-01
DAV: 19 -0.383490265569E+03 -0.64430E-02 -0.36015E-03 354 0.163E-01 0.123E-01
DAV: 20 -0.383494146267E+03 -0.38807E-02 -0.99131E-04 291 0.756E-02 0.132E-01
DAV: 21 -0.383496312974E+03 -0.21667E-02 -0.15364E-03 345 0.625E-02 0.138E-01
DAV: 22 -0.383502877383E+03 -0.65644E-02 -0.17883E-03 291 0.707E-02 0.785E-02
DAV: 23 -0.383504739732E+03 -0.18623E-02 -0.17376E-04 318 0.336E-02 0.431E-02
DAV: 24 -0.383507829831E+03 -0.30901E-02 -0.15041E-04 291 0.278E-02 0.331E-02
DAV: 25 -0.383510254382E+03 -0.24246E-02 -0.33854E-04 318 0.344E-02 0.377E-02
DAV: 26 -0.383511736497E+03 -0.14821E-02 -0.97012E-05 309 0.233E-02 0.278E-02
DAV: 27 -0.383512312362E+03 -0.57587E-03 -0.60357E-05 300 0.159E-02 0.968E-03
DAV: 28 -0.383512784965E+03 -0.47260E-03 -0.20210E-05 273 0.111E-02 0.822E-03
DAV: 29 -0.383513147238E+03 -0.36227E-03 -0.15329E-05 255 0.798E-03 0.572E-03
DAV: 30 -0.383513331970E+03 -0.18473E-03 -0.56768E-06 219 0.523E-03 0.473E-03
DAV: 31 -0.383513427473E+03 -0.95503E-04 -0.54659E-06 228 0.507E-03 0.448E-03
DAV: 32 -0.383513473428E+03 -0.45955E-04 -0.11658E-06 219 0.305E-03 0.286E-03
DAV: 33 -0.383513499740E+03 -0.26311E-04 -0.15729E-06 219 0.322E-03 0.136E-03
DAV: 34 -0.383513515564E+03 -0.15824E-04 -0.52993E-07 219 0.188E-03 0.104E-03
DAV: 35 -0.383513533968E+03 -0.18405E-04 -0.81073E-07 201 0.177E-03 0.154E-03
DAV: 36 -0.383513540217E+03 -0.62486E-05 -0.28980E-07 228 0.110E-03
1 F= -.38351354E+03 E0= -.38353021E+03 d E =0.500159E-01