iterations/neb0_image01_iter47_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 0.144691252696E+04 0.14469E+04 -0.44188E+04 330 0.697E+02
DAV: 2 0.227732554144E+03 -0.12192E+04 -0.11421E+04 426 0.163E+02
DAV: 3 -0.362799775498E+03 -0.59053E+03 -0.58712E+03 345 0.114E+02
DAV: 4 -0.433468949724E+03 -0.70669E+02 -0.70399E+02 318 0.512E+01
DAV: 5 -0.435055780780E+03 -0.15868E+01 -0.15845E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389084096368E+03 0.45972E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385605568664E+03 0.34785E+01 -0.13207E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384136809631E+03 0.14688E+01 -0.21457E+00 327 0.381E+00 0.428E+00
DAV: 9 -0.383576511676E+03 0.56030E+00 -0.11201E+00 336 0.224E+00 0.124E+00
DAV: 10 -0.383527187914E+03 0.49324E-01 -0.48793E-01 318 0.113E+00 0.979E-01
DAV: 11 -0.383488827938E+03 0.38360E-01 -0.75496E-02 345 0.614E-01 0.617E-01
DAV: 12 -0.383467468168E+03 0.21360E-01 -0.41188E-02 327 0.542E-01 0.729E-01
DAV: 13 -0.383458727066E+03 0.87411E-02 -0.50740E-02 390 0.449E-01 0.566E-01
DAV: 14 -0.383452692543E+03 0.60345E-02 -0.12477E-01 363 0.432E-01 0.626E-01
DAV: 15 -0.383453114066E+03 -0.42152E-03 -0.10340E-01 354 0.378E-01 0.710E-01
DAV: 16 -0.383450307083E+03 0.28070E-02 -0.11560E-02 300 0.327E-01 0.292E-01
DAV: 17 -0.383455907279E+03 -0.56002E-02 -0.62685E-03 327 0.244E-01 0.171E-01
DAV: 18 -0.383465832760E+03 -0.99255E-02 -0.76182E-03 300 0.183E-01 0.293E-01
DAV: 19 -0.383466519886E+03 -0.68713E-03 -0.20310E-03 318 0.979E-02 0.163E-01
DAV: 20 -0.383475535091E+03 -0.90152E-02 -0.14172E-03 282 0.102E-01 0.180E-01
DAV: 21 -0.383482692337E+03 -0.71572E-02 -0.99213E-04 336 0.896E-02 0.106E-01
DAV: 22 -0.383490124311E+03 -0.74320E-02 -0.77786E-04 309 0.670E-02 0.314E-02
DAV: 23 -0.383493103175E+03 -0.29789E-02 -0.16751E-04 363 0.342E-02 0.525E-02
DAV: 24 -0.383496465609E+03 -0.33624E-02 -0.14136E-04 300 0.250E-02 0.274E-02
DAV: 25 -0.383497965882E+03 -0.15003E-02 -0.61512E-05 309 0.166E-02 0.198E-02
DAV: 26 -0.383499346416E+03 -0.13805E-02 -0.67516E-05 300 0.170E-02 0.152E-02
DAV: 27 -0.383499841395E+03 -0.49498E-03 -0.12491E-05 246 0.848E-03 0.678E-03
DAV: 28 -0.383500255591E+03 -0.41420E-03 -0.16212E-05 237 0.722E-03 0.589E-03
DAV: 29 -0.383500524226E+03 -0.26864E-03 -0.10284E-05 228 0.677E-03 0.423E-03
DAV: 30 -0.383500587217E+03 -0.62991E-04 -0.26283E-06 237 0.358E-03 0.494E-03
DAV: 31 -0.383500634040E+03 -0.46823E-04 -0.15427E-06 210 0.324E-03 0.167E-03
DAV: 32 -0.383500685274E+03 -0.51233E-04 -0.22406E-06 201 0.328E-03 0.255E-03
DAV: 33 -0.383500688697E+03 -0.34230E-05 -0.54554E-07 237 0.176E-03
1 F= -.38350069E+03 E0= -.38351737E+03 d E =0.500553E-01