iterations/neb0_image03_iter9_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 0.144896814979E+04 0.14490E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224761495606E+03 -0.12242E+04 -0.11484E+04 435 0.163E+02
DAV: 3 -0.362495755092E+03 -0.58726E+03 -0.58367E+03 345 0.114E+02
DAV: 4 -0.433405537102E+03 -0.70910E+02 -0.70680E+02 309 0.508E+01
DAV: 5 -0.434995938613E+03 -0.15904E+01 -0.15877E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389056683359E+03 0.45939E+02 -0.14797E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385594016137E+03 0.34627E+01 -0.13178E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384127795687E+03 0.14662E+01 -0.18625E+00 336 0.379E+00 0.435E+00
DAV: 9 -0.383593801867E+03 0.53399E+00 -0.10694E+00 345 0.235E+00 0.121E+00
DAV: 10 -0.383523574529E+03 0.70227E-01 -0.23779E-01 318 0.103E+00 0.981E-01
DAV: 11 -0.383501608326E+03 0.21966E-01 -0.17097E-01 327 0.562E-01 0.837E-01
DAV: 12 -0.383469343284E+03 0.32265E-01 -0.71189E-02 345 0.547E-01 0.649E-01
DAV: 13 -0.383455091467E+03 0.14252E-01 -0.45651E-02 345 0.418E-01 0.417E-01
DAV: 14 -0.383446992667E+03 0.80988E-02 -0.12185E-02 309 0.389E-01 0.600E-01
DAV: 15 -0.383445989301E+03 0.10034E-02 -0.60424E-02 372 0.379E-01 0.352E-01
DAV: 16 -0.383449677642E+03 -0.36883E-02 -0.89727E-03 318 0.247E-01 0.384E-01
DAV: 17 -0.383453290055E+03 -0.36124E-02 -0.50266E-03 291 0.217E-01 0.201E-01
DAV: 18 -0.383462144166E+03 -0.88541E-02 -0.46231E-03 309 0.170E-01 0.243E-01
DAV: 19 -0.383468658402E+03 -0.65142E-02 -0.37089E-03 327 0.145E-01 0.808E-02
DAV: 20 -0.383477462248E+03 -0.88038E-02 -0.15964E-03 318 0.117E-01 0.880E-02
DAV: 21 -0.383485467527E+03 -0.80053E-02 -0.60765E-04 309 0.746E-02 0.520E-02
DAV: 22 -0.383489042542E+03 -0.35750E-02 -0.30779E-04 327 0.413E-02 0.320E-02
DAV: 23 -0.383491924996E+03 -0.28825E-02 -0.10516E-04 300 0.220E-02 0.231E-02
DAV: 24 -0.383495051325E+03 -0.31263E-02 -0.18695E-04 318 0.253E-02 0.185E-02
DAV: 25 -0.383496121060E+03 -0.10697E-02 -0.45810E-05 291 0.145E-02 0.106E-02
DAV: 26 -0.383496611306E+03 -0.49025E-03 -0.14586E-05 237 0.799E-03 0.867E-03
DAV: 27 -0.383496939031E+03 -0.32773E-03 -0.12313E-05 246 0.750E-03 0.277E-03
DAV: 28 -0.383497137213E+03 -0.19818E-03 -0.97256E-06 228 0.703E-03 0.762E-03
DAV: 29 -0.383497191217E+03 -0.54004E-04 -0.16264E-06 237 0.361E-03 0.449E-03
DAV: 30 -0.383497262007E+03 -0.70790E-04 -0.35475E-06 192 0.410E-03 0.150E-03
DAV: 31 -0.383497279639E+03 -0.17632E-04 -0.81626E-07 228 0.220E-03 0.125E-03
DAV: 32 -0.383497297210E+03 -0.17571E-04 -0.52840E-07 210 0.159E-03 0.131E-03
DAV: 33 -0.383497309728E+03 -0.12517E-04 -0.45523E-07 210 0.127E-03 0.446E-04
DAV: 34 -0.383497311643E+03 -0.19154E-05 -0.12480E-07 228 0.695E-04
1 F= -.38349731E+03 E0= -.38351384E+03 d E =0.495932E-01