iterations/neb0_image07_iter29_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 0.144978688160E+04 0.14498E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.227114578933E+03 -0.12227E+04 -0.11463E+04 426 0.163E+02
DAV: 3 -0.361517343448E+03 -0.58863E+03 -0.58511E+03 345 0.114E+02
DAV: 4 -0.432867967818E+03 -0.71351E+02 -0.71093E+02 309 0.510E+01
DAV: 5 -0.434497480546E+03 -0.16295E+01 -0.16266E+01 327 0.791E+00 0.426E+01
DAV: 6 -0.388803439727E+03 0.45694E+02 -0.14750E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385373180879E+03 0.34303E+01 -0.13061E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383906154668E+03 0.14670E+01 -0.18324E+00 327 0.379E+00 0.430E+00
DAV: 9 -0.383387563450E+03 0.51859E+00 -0.15974E+00 336 0.226E+00 0.114E+00
DAV: 10 -0.383314698821E+03 0.72865E-01 -0.18193E-01 336 0.101E+00 0.959E-01
DAV: 11 -0.383287699839E+03 0.26999E-01 -0.11187E-01 318 0.594E-01 0.882E-01
DAV: 12 -0.383272560021E+03 0.15140E-01 -0.14292E-01 381 0.660E-01 0.110E+00
DAV: 13 -0.383244801638E+03 0.27758E-01 -0.12919E-01 363 0.562E-01 0.430E-01
DAV: 14 -0.383235751308E+03 0.90503E-02 -0.21427E-02 309 0.433E-01 0.475E-01
DAV: 15 -0.383237529689E+03 -0.17784E-02 -0.14733E-02 336 0.337E-01 0.722E-01
DAV: 16 -0.383233883259E+03 0.36464E-02 -0.33095E-02 336 0.260E-01 0.233E-01
DAV: 17 -0.383244112485E+03 -0.10229E-01 -0.54319E-03 300 0.223E-01 0.158E-01
DAV: 18 -0.383256994074E+03 -0.12882E-01 -0.59908E-03 291 0.231E-01 0.147E-01
DAV: 19 -0.383261091424E+03 -0.40974E-02 -0.18867E-03 336 0.113E-01 0.141E-01
DAV: 20 -0.383264711458E+03 -0.36200E-02 -0.24849E-04 300 0.448E-02 0.154E-01
DAV: 21 -0.383276525304E+03 -0.11814E-01 -0.17004E-03 300 0.898E-02 0.488E-02
DAV: 22 -0.383278507094E+03 -0.19818E-02 -0.48355E-04 327 0.472E-02 0.666E-02
DAV: 23 -0.383278903965E+03 -0.39687E-03 -0.14807E-04 318 0.243E-02 0.312E-02
DAV: 24 -0.383281283008E+03 -0.23790E-02 -0.10260E-04 291 0.234E-02 0.184E-02
DAV: 25 -0.383284212700E+03 -0.29297E-02 -0.17082E-04 300 0.238E-02 0.197E-02
DAV: 26 -0.383285078064E+03 -0.86536E-03 -0.44427E-05 264 0.122E-02 0.112E-02
DAV: 27 -0.383285760649E+03 -0.68258E-03 -0.34418E-05 255 0.130E-02 0.943E-03
DAV: 28 -0.383286019963E+03 -0.25931E-03 -0.78661E-06 228 0.659E-03 0.588E-03
DAV: 29 -0.383286154714E+03 -0.13475E-03 -0.57643E-06 210 0.463E-03 0.233E-03
DAV: 30 -0.383286254893E+03 -0.10018E-03 -0.36944E-06 219 0.414E-03 0.292E-03
DAV: 31 -0.383286303921E+03 -0.49028E-04 -0.18711E-06 201 0.277E-03 0.263E-03
DAV: 32 -0.383286325841E+03 -0.21921E-04 -0.14390E-06 228 0.253E-03 0.160E-03
DAV: 33 -0.383286339258E+03 -0.13417E-04 -0.61485E-07 201 0.156E-03 0.703E-04
DAV: 34 -0.383286347328E+03 -0.80698E-05 -0.39853E-07 228 0.113E-03
1 F= -.38328635E+03 E0= -.38330341E+03 d E =0.512029E-01