./iterations/neb0_image07_iter25_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 0.145081170596E+04 0.14508E+04 -0.44235E+04 330 0.697E+02
DAV: 2 0.227800092213E+03 -0.12230E+04 -0.11467E+04 426 0.163E+02
DAV: 3 -0.364856146006E+03 -0.59266E+03 -0.58913E+03 354 0.114E+02
DAV: 4 -0.433069350704E+03 -0.68213E+02 -0.67958E+02 318 0.491E+01
DAV: 5 -0.434560007948E+03 -0.14907E+01 -0.14881E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388788770169E+03 0.45771E+02 -0.14841E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385354012180E+03 0.34348E+01 -0.12993E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383886350116E+03 0.14677E+01 -0.18749E+00 336 0.379E+00 0.434E+00
DAV: 9 -0.383372000451E+03 0.51435E+00 -0.16569E+00 336 0.235E+00 0.119E+00
DAV: 10 -0.383295619892E+03 0.76381E-01 -0.19763E-01 327 0.106E+00 0.957E-01
DAV: 11 -0.383271825133E+03 0.23795E-01 -0.12611E-01 318 0.597E-01 0.766E-01
DAV: 12 -0.383235132538E+03 0.36693E-01 -0.77916E-02 363 0.597E-01 0.502E-01
DAV: 13 -0.383217725504E+03 0.17407E-01 -0.17959E-02 318 0.442E-01 0.319E-01
DAV: 14 -0.383217667439E+03 0.58065E-04 -0.49891E-02 336 0.499E-01 0.709E-01
DAV: 15 -0.383211626734E+03 0.60407E-02 -0.10085E-02 336 0.248E-01 0.311E-01
DAV: 16 -0.383216987937E+03 -0.53612E-02 -0.13773E-02 318 0.212E-01 0.292E-01
DAV: 17 -0.383221142420E+03 -0.41545E-02 -0.71762E-03 291 0.213E-01 0.205E-01
DAV: 18 -0.383227650589E+03 -0.65082E-02 -0.32777E-03 309 0.136E-01 0.100E-01
DAV: 19 -0.383238480857E+03 -0.10830E-01 -0.29659E-03 291 0.187E-01 0.922E-02
DAV: 20 -0.383248018155E+03 -0.95373E-02 -0.22726E-03 327 0.141E-01 0.141E-01
DAV: 21 -0.383251203779E+03 -0.31856E-02 -0.47846E-04 336 0.587E-02 0.740E-02
DAV: 22 -0.383256530517E+03 -0.53267E-02 -0.10712E-03 300 0.712E-02 0.585E-02
DAV: 23 -0.383258868113E+03 -0.23376E-02 -0.12856E-04 327 0.307E-02 0.443E-02
DAV: 24 -0.383260860759E+03 -0.19926E-02 -0.15172E-04 300 0.264E-02 0.163E-02
DAV: 25 -0.383262789207E+03 -0.19284E-02 -0.10859E-04 309 0.196E-02 0.924E-03
DAV: 26 -0.383263412363E+03 -0.62316E-03 -0.19389E-05 237 0.877E-03 0.803E-03
DAV: 27 -0.383263830566E+03 -0.41820E-03 -0.16456E-05 237 0.846E-03 0.290E-03
DAV: 28 -0.383264062293E+03 -0.23173E-03 -0.92840E-06 210 0.602E-03 0.312E-03
DAV: 29 -0.383264115411E+03 -0.53118E-04 -0.21173E-06 237 0.328E-03 0.183E-03
DAV: 30 -0.383264178390E+03 -0.62979E-04 -0.27096E-06 192 0.331E-03 0.150E-03
DAV: 31 -0.383264189362E+03 -0.10972E-04 -0.74543E-07 228 0.213E-03 0.859E-04
DAV: 32 -0.383264209426E+03 -0.20064E-04 -0.98718E-07 192 0.235E-03 0.157E-03
DAV: 33 -0.383264217933E+03 -0.85069E-05 -0.35116E-07 219 0.142E-03
1 F= -.38326422E+03 E0= -.38328115E+03 d E =0.508094E-01