./iterations/neb0_image07_iter2_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145147744911E+04 0.14515E+04 -0.44239E+04 330 0.697E+02
DAV: 2 0.229806293389E+03 -0.12217E+04 -0.11468E+04 426 0.163E+02
DAV: 3 -0.360338495016E+03 -0.59014E+03 -0.58676E+03 345 0.114E+02
DAV: 4 -0.432485388912E+03 -0.72147E+02 -0.71870E+02 309 0.513E+01
DAV: 5 -0.434124033750E+03 -0.16386E+01 -0.16357E+01 318 0.795E+00 0.426E+01
DAV: 6 -0.388436167041E+03 0.45688E+02 -0.14677E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.384982790961E+03 0.34534E+01 -0.13292E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383537173380E+03 0.14456E+01 -0.19995E+00 336 0.387E+00 0.430E+00
DAV: 9 -0.383012187195E+03 0.52499E+00 -0.15023E+00 336 0.241E+00 0.139E+00
DAV: 10 -0.382942404641E+03 0.69783E-01 -0.32974E-01 336 0.118E+00 0.119E+00
DAV: 11 -0.382917187124E+03 0.25218E-01 -0.35607E-01 354 0.739E-01 0.791E-01
DAV: 12 -0.382899298437E+03 0.17889E-01 -0.14070E-01 336 0.646E-01 0.670E-01
DAV: 13 -0.382875693712E+03 0.23605E-01 -0.23629E-02 336 0.518E-01 0.490E-01
DAV: 14 -0.382874040094E+03 0.16536E-02 -0.76103E-02 345 0.513E-01 0.637E-01
DAV: 15 -0.382864171088E+03 0.98690E-02 -0.28102E-02 327 0.445E-01 0.214E-01
DAV: 16 -0.382867342612E+03 -0.31715E-02 -0.57858E-03 318 0.237E-01 0.147E-01
DAV: 17 -0.382875523793E+03 -0.81812E-02 -0.28203E-03 291 0.190E-01 0.123E-01
DAV: 18 -0.382890999769E+03 -0.15476E-01 -0.50984E-03 318 0.258E-01 0.213E-01
DAV: 19 -0.382895184682E+03 -0.41849E-02 -0.21045E-03 327 0.134E-01 0.944E-02
DAV: 20 -0.382899356520E+03 -0.41718E-02 -0.51163E-04 318 0.557E-02 0.548E-02
DAV: 21 -0.382907545822E+03 -0.81893E-02 -0.69970E-04 309 0.703E-02 0.101E-01
DAV: 22 -0.382910540072E+03 -0.29942E-02 -0.16627E-04 318 0.392E-02 0.458E-02
DAV: 23 -0.382914459543E+03 -0.39195E-02 -0.40244E-04 318 0.423E-02 0.159E-02
DAV: 24 -0.382915283588E+03 -0.82404E-03 -0.44841E-05 336 0.172E-02 0.196E-02
DAV: 25 -0.382915906144E+03 -0.62256E-03 -0.18223E-05 228 0.106E-02 0.138E-02
DAV: 26 -0.382916694877E+03 -0.78873E-03 -0.45909E-05 300 0.139E-02 0.998E-03
DAV: 27 -0.382916953616E+03 -0.25874E-03 -0.69936E-06 228 0.752E-03 0.475E-03
DAV: 28 -0.382917112545E+03 -0.15893E-03 -0.69554E-06 210 0.605E-03 0.308E-03
DAV: 29 -0.382917211466E+03 -0.98922E-04 -0.22523E-06 219 0.462E-03 0.240E-03
DAV: 30 -0.382917283795E+03 -0.72329E-04 -0.37151E-06 210 0.462E-03 0.303E-03
DAV: 31 -0.382917293352E+03 -0.95568E-05 -0.85430E-07 237 0.307E-03
1 F= -.38291729E+03 E0= -.38293055E+03 d E =0.397569E-01