iterations/neb0_image02_iter52_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 0.144846024853E+04 0.14485E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224408907457E+03 -0.12241E+04 -0.11471E+04 435 0.163E+02
DAV: 3 -0.362997931247E+03 -0.58741E+03 -0.58427E+03 345 0.114E+02
DAV: 4 -0.433507852586E+03 -0.70510E+02 -0.70280E+02 309 0.509E+01
DAV: 5 -0.435089852617E+03 -0.15820E+01 -0.15794E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389059039253E+03 0.46031E+02 -0.14822E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385589971628E+03 0.34691E+01 -0.13481E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384122521268E+03 0.14675E+01 -0.21976E+00 327 0.385E+00 0.435E+00
DAV: 9 -0.383556865572E+03 0.56566E+00 -0.11332E+00 345 0.233E+00 0.115E+00
DAV: 10 -0.383497663812E+03 0.59202E-01 -0.15222E-01 327 0.106E+00 0.102E+00
DAV: 11 -0.383481294269E+03 0.16370E-01 -0.19700E-01 354 0.580E-01 0.783E-01
DAV: 12 -0.383449814110E+03 0.31480E-01 -0.35536E-02 354 0.510E-01 0.592E-01
DAV: 13 -0.383441963848E+03 0.78503E-02 -0.12775E-01 336 0.469E-01 0.821E-01
DAV: 14 -0.383430500156E+03 0.11464E-01 -0.38985E-02 336 0.426E-01 0.549E-01
DAV: 15 -0.383429624572E+03 0.87558E-03 -0.11443E-02 327 0.320E-01 0.307E-01
DAV: 16 -0.383431631917E+03 -0.20073E-02 -0.15278E-02 300 0.250E-01 0.287E-01
DAV: 17 -0.383437603485E+03 -0.59716E-02 -0.50038E-03 309 0.223E-01 0.201E-01
DAV: 18 -0.383445367471E+03 -0.77640E-02 -0.34105E-03 309 0.183E-01 0.106E-01
DAV: 19 -0.383455004767E+03 -0.96373E-02 -0.21672E-03 309 0.153E-01 0.910E-02
DAV: 20 -0.383464567137E+03 -0.95624E-02 -0.11633E-03 336 0.101E-01 0.651E-02
DAV: 21 -0.383471041420E+03 -0.64743E-02 -0.52186E-04 354 0.625E-02 0.334E-02
DAV: 22 -0.383475233847E+03 -0.41924E-02 -0.20658E-04 309 0.335E-02 0.291E-02
DAV: 23 -0.383477709680E+03 -0.24758E-02 -0.84822E-05 309 0.205E-02 0.174E-02
DAV: 24 -0.383480357870E+03 -0.26482E-02 -0.14362E-04 291 0.223E-02 0.130E-02
DAV: 25 -0.383481201322E+03 -0.84345E-03 -0.24165E-05 255 0.996E-03 0.871E-03
DAV: 26 -0.383481888963E+03 -0.68764E-03 -0.30916E-05 273 0.121E-02 0.761E-03
DAV: 27 -0.383482129818E+03 -0.24085E-03 -0.55414E-06 228 0.640E-03 0.511E-03
DAV: 28 -0.383482258226E+03 -0.12841E-03 -0.85310E-06 219 0.769E-03 0.375E-03
DAV: 29 -0.383482335032E+03 -0.76806E-04 -0.20455E-06 210 0.433E-03 0.231E-03
DAV: 30 -0.383482403679E+03 -0.68647E-04 -0.31040E-06 210 0.458E-03 0.156E-03
DAV: 31 -0.383482438703E+03 -0.35024E-04 -0.13420E-06 201 0.254E-03 0.101E-03
DAV: 32 -0.383482454516E+03 -0.15813E-04 -0.66856E-07 228 0.169E-03 0.615E-04
DAV: 33 -0.383482463105E+03 -0.85892E-05 -0.57569E-07 201 0.190E-03
1 F= -.38348246E+03 E0= -.38349892E+03 d E =0.493587E-01