iterations/neb0_image01_iter51_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 0.144716723124E+04 0.14472E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.227812494595E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362845794140E+03 -0.59066E+03 -0.58726E+03 345 0.114E+02
DAV: 4 -0.433495155069E+03 -0.70649E+02 -0.70380E+02 318 0.512E+01
DAV: 5 -0.435080590223E+03 -0.15854E+01 -0.15831E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389095174955E+03 0.45985E+02 -0.14801E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385619231162E+03 0.34759E+01 -0.13342E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384147984591E+03 0.14712E+01 -0.21064E+00 327 0.381E+00 0.430E+00
DAV: 9 -0.383601769338E+03 0.54622E+00 -0.15394E+00 345 0.237E+00 0.131E+00
DAV: 10 -0.383536662598E+03 0.65107E-01 -0.29600E-01 318 0.111E+00 0.106E+00
DAV: 11 -0.383515191939E+03 0.21471E-01 -0.26474E-01 345 0.625E-01 0.100E+00
DAV: 12 -0.383495348821E+03 0.19843E-01 -0.26889E-01 327 0.711E-01 0.944E-01
DAV: 13 -0.383476054850E+03 0.19294E-01 -0.17636E-01 345 0.549E-01 0.695E-01
DAV: 14 -0.383463182280E+03 0.12873E-01 -0.31382E-02 327 0.395E-01 0.405E-01
DAV: 15 -0.383460663326E+03 0.25190E-02 -0.16350E-02 309 0.403E-01 0.280E-01
DAV: 16 -0.383465291057E+03 -0.46277E-02 -0.76712E-03 327 0.248E-01 0.194E-01
DAV: 17 -0.383472294071E+03 -0.70030E-02 -0.28747E-03 291 0.168E-01 0.162E-01
DAV: 18 -0.383479630035E+03 -0.73360E-02 -0.29721E-03 354 0.171E-01 0.118E-01
DAV: 19 -0.383490441055E+03 -0.10811E-01 -0.76441E-03 363 0.201E-01 0.275E-01
DAV: 20 -0.383489057141E+03 0.13839E-02 -0.17702E-03 327 0.969E-02 0.111E-01
DAV: 21 -0.383493116191E+03 -0.40591E-02 -0.66570E-04 291 0.611E-02 0.115E-01
DAV: 22 -0.383499183439E+03 -0.60672E-02 -0.54863E-04 318 0.684E-02 0.636E-02
DAV: 23 -0.383504511600E+03 -0.53282E-02 -0.42311E-04 318 0.541E-02 0.679E-02
DAV: 24 -0.383507652088E+03 -0.31405E-02 -0.13790E-04 309 0.293E-02 0.595E-02
DAV: 25 -0.383509704028E+03 -0.20519E-02 -0.12516E-04 327 0.299E-02 0.240E-02
DAV: 26 -0.383510875624E+03 -0.11716E-02 -0.86448E-05 336 0.231E-02 0.175E-02
DAV: 27 -0.383511585041E+03 -0.70942E-03 -0.30778E-05 300 0.123E-02 0.115E-02
DAV: 28 -0.383512072877E+03 -0.48784E-03 -0.20336E-05 255 0.932E-03 0.792E-03
DAV: 29 -0.383512271971E+03 -0.19909E-03 -0.68007E-06 246 0.601E-03 0.486E-03
DAV: 30 -0.383512452416E+03 -0.18045E-03 -0.63280E-06 201 0.647E-03 0.318E-03
DAV: 31 -0.383512515825E+03 -0.63409E-04 -0.29639E-06 228 0.383E-03 0.297E-03
DAV: 32 -0.383512548170E+03 -0.32345E-04 -0.11638E-06 219 0.263E-03 0.212E-03
DAV: 33 -0.383512590351E+03 -0.42182E-04 -0.18579E-06 210 0.282E-03 0.176E-03
DAV: 34 -0.383512598820E+03 -0.84687E-05 -0.43904E-07 228 0.162E-03
1 F= -.38351260E+03 E0= -.38352927E+03 d E =0.500033E-01