iterations/neb0_image07_iter57_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 0.144862610981E+04 0.14486E+04 -0.44244E+04 330 0.697E+02
DAV: 2 0.232264966735E+03 -0.12164E+04 -0.11399E+04 417 0.163E+02
DAV: 3 -0.366815151497E+03 -0.59908E+03 -0.59544E+03 372 0.114E+02
DAV: 4 -0.432045920795E+03 -0.65231E+02 -0.64999E+02 300 0.470E+01
DAV: 5 -0.433443076052E+03 -0.13972E+01 -0.13945E+01 327 0.723E+00 0.428E+01
DAV: 6 -0.387460616185E+03 0.45982E+02 -0.15062E+02 309 0.289E+01 0.210E+01
DAV: 7 -0.384028066799E+03 0.34325E+01 -0.13291E+01 336 0.782E+00 0.104E+01
DAV: 8 -0.382569257128E+03 0.14588E+01 -0.19693E+00 345 0.390E+00 0.436E+00
DAV: 9 -0.382025191788E+03 0.54407E+00 -0.14892E+00 336 0.233E+00 0.136E+00
DAV: 10 -0.381970118227E+03 0.55074E-01 -0.47793E-01 345 0.114E+00 0.812E-01
DAV: 11 -0.381938354230E+03 0.31764E-01 -0.48742E-02 327 0.560E-01 0.596E-01
DAV: 12 -0.381911703220E+03 0.26651E-01 -0.10892E-01 381 0.697E-01 0.707E-01
DAV: 13 -0.381901232241E+03 0.10471E-01 -0.12715E-01 327 0.497E-01 0.380E-01
DAV: 14 -0.381900100545E+03 0.11317E-02 -0.14218E-02 318 0.326E-01 0.371E-01
DAV: 15 -0.381901412199E+03 -0.13117E-02 -0.80023E-03 318 0.311E-01 0.203E-01
DAV: 16 -0.381910692345E+03 -0.92801E-02 -0.10139E-02 327 0.241E-01 0.252E-01
DAV: 17 -0.381918571223E+03 -0.78789E-02 -0.23541E-03 309 0.141E-01 0.124E-01
DAV: 18 -0.381926701407E+03 -0.81302E-02 -0.15000E-03 309 0.111E-01 0.768E-02
DAV: 19 -0.381934103113E+03 -0.74017E-02 -0.14303E-03 363 0.112E-01 0.111E-01
DAV: 20 -0.381937880254E+03 -0.37771E-02 -0.54574E-04 345 0.651E-02 0.436E-02
DAV: 21 -0.381941673094E+03 -0.37928E-02 -0.20934E-04 309 0.334E-02 0.200E-02
DAV: 22 -0.381946057756E+03 -0.43847E-02 -0.24269E-04 318 0.295E-02 0.120E-02
DAV: 23 -0.381948254222E+03 -0.21965E-02 -0.11359E-04 291 0.206E-02 0.161E-02
DAV: 24 -0.381949016049E+03 -0.76183E-03 -0.33154E-05 300 0.128E-02 0.124E-02
DAV: 25 -0.381949580017E+03 -0.56397E-03 -0.22997E-05 237 0.103E-02 0.509E-03
DAV: 26 -0.381949823897E+03 -0.24388E-03 -0.15674E-05 255 0.883E-03 0.723E-03
DAV: 27 -0.381949869211E+03 -0.45314E-04 -0.20258E-06 237 0.384E-03 0.677E-03
DAV: 28 -0.381949942295E+03 -0.73084E-04 -0.17604E-06 201 0.331E-03 0.263E-03
DAV: 29 -0.381950021257E+03 -0.78962E-04 -0.36056E-06 201 0.433E-03 0.297E-03
DAV: 30 -0.381950034528E+03 -0.13271E-04 -0.86928E-07 228 0.230E-03 0.188E-03
DAV: 31 -0.381950049465E+03 -0.14938E-04 -0.58155E-07 201 0.157E-03 0.109E-03
DAV: 32 -0.381950059189E+03 -0.97242E-05 -0.40867E-07 228 0.152E-03
1 F= -.38195006E+03 E0= -.38196295E+03 d E =0.386670E-01