iterations/neb0_image01_iter35_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 0.144722722120E+04 0.14472E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.227821877500E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362853337444E+03 -0.59068E+03 -0.58727E+03 345 0.114E+02
DAV: 4 -0.433508709791E+03 -0.70655E+02 -0.70385E+02 318 0.512E+01
DAV: 5 -0.435094886891E+03 -0.15862E+01 -0.15838E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389089720577E+03 0.46005E+02 -0.14829E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385602576874E+03 0.34871E+01 -0.13043E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384144827996E+03 0.14577E+01 -0.22386E+00 336 0.381E+00 0.428E+00
DAV: 9 -0.383573692848E+03 0.57114E+00 -0.85402E-01 336 0.207E+00 0.115E+00
DAV: 10 -0.383519588597E+03 0.54104E-01 -0.41848E-01 336 0.113E+00 0.109E+00
DAV: 11 -0.383496399085E+03 0.23190E-01 -0.21987E-01 354 0.614E-01 0.875E-01
DAV: 12 -0.383480417572E+03 0.15982E-01 -0.16592E-01 354 0.517E-01 0.654E-01
DAV: 13 -0.383453849200E+03 0.26568E-01 -0.76355E-02 309 0.532E-01 0.704E-01
DAV: 14 -0.383448960256E+03 0.48889E-02 -0.53104E-02 327 0.424E-01 0.633E-01
DAV: 15 -0.383446101141E+03 0.28591E-02 -0.62701E-02 336 0.320E-01 0.267E-01
DAV: 16 -0.383452639567E+03 -0.65384E-02 -0.15904E-02 309 0.282E-01 0.265E-01
DAV: 17 -0.383458823426E+03 -0.61839E-02 -0.33157E-03 300 0.172E-01 0.263E-01
DAV: 18 -0.383468965973E+03 -0.10143E-01 -0.96092E-03 318 0.186E-01 0.108E-01
DAV: 19 -0.383474978603E+03 -0.60126E-02 -0.17911E-03 318 0.112E-01 0.698E-02
DAV: 20 -0.383481103099E+03 -0.61245E-02 -0.48592E-04 291 0.613E-02 0.500E-02
DAV: 21 -0.383490150676E+03 -0.90476E-02 -0.61373E-04 300 0.600E-02 0.435E-02
DAV: 22 -0.383493597230E+03 -0.34466E-02 -0.21878E-04 336 0.362E-02 0.207E-02
DAV: 23 -0.383497891596E+03 -0.42944E-02 -0.23521E-04 291 0.304E-02 0.281E-02
DAV: 24 -0.383499422353E+03 -0.15308E-02 -0.54919E-05 300 0.147E-02 0.139E-02
DAV: 25 -0.383500925978E+03 -0.15036E-02 -0.96033E-05 291 0.205E-02 0.119E-02
DAV: 26 -0.383501305104E+03 -0.37913E-03 -0.13380E-05 246 0.857E-03 0.730E-03
DAV: 27 -0.383501562833E+03 -0.25773E-03 -0.77183E-06 210 0.707E-03 0.592E-03
DAV: 28 -0.383501782959E+03 -0.22013E-03 -0.12434E-05 237 0.801E-03 0.402E-03
DAV: 29 -0.383501823937E+03 -0.40978E-04 -0.19947E-06 237 0.438E-03 0.296E-03
DAV: 30 -0.383501884260E+03 -0.60324E-04 -0.50192E-06 192 0.667E-03 0.254E-03
DAV: 31 -0.383501901440E+03 -0.17179E-04 -0.10046E-06 228 0.311E-03 0.253E-03
DAV: 32 -0.383501927475E+03 -0.26035E-04 -0.11259E-06 183 0.285E-03 0.166E-03
DAV: 33 -0.383501940483E+03 -0.13008E-04 -0.61965E-07 219 0.197E-03 0.984E-04
DAV: 34 -0.383501946214E+03 -0.57316E-05 -0.27183E-07 219 0.123E-03
1 F= -.38350195E+03 E0= -.38351858E+03 d E =0.498933E-01