./iterations/neb0_image08_iter4_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 0.145228099800E+04 0.14523E+04 -0.44257E+04 330 0.697E+02
DAV: 2 0.231281733603E+03 -0.12210E+04 -0.11461E+04 426 0.163E+02
DAV: 3 -0.359391085305E+03 -0.59067E+03 -0.58720E+03 345 0.114E+02
DAV: 4 -0.432122875661E+03 -0.72732E+02 -0.72443E+02 309 0.514E+01
DAV: 5 -0.433779203645E+03 -0.16563E+01 -0.16532E+01 318 0.799E+00 0.426E+01
DAV: 6 -0.388138438675E+03 0.45641E+02 -0.14641E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.384674557800E+03 0.34639E+01 -0.13319E+01 345 0.788E+00 0.104E+01
DAV: 8 -0.383223661702E+03 0.14509E+01 -0.19092E+00 336 0.389E+00 0.431E+00
DAV: 9 -0.382689883350E+03 0.53378E+00 -0.94807E-01 336 0.234E+00 0.117E+00
DAV: 10 -0.382636751817E+03 0.53132E-01 -0.26479E-01 336 0.108E+00 0.866E-01
DAV: 11 -0.382608215270E+03 0.28537E-01 -0.50925E-02 327 0.550E-01 0.677E-01
DAV: 12 -0.382593040734E+03 0.15175E-01 -0.68196E-02 390 0.531E-01 0.499E-01
DAV: 13 -0.382573424087E+03 0.19617E-01 -0.16679E-02 309 0.380E-01 0.475E-01
DAV: 14 -0.382569381421E+03 0.40427E-02 -0.28645E-02 354 0.516E-01 0.647E-01
DAV: 15 -0.382566824842E+03 0.25566E-02 -0.12064E-02 318 0.341E-01 0.291E-01
DAV: 16 -0.382569552689E+03 -0.27278E-02 -0.69105E-03 291 0.243E-01 0.147E-01
DAV: 17 -0.382576594187E+03 -0.70415E-02 -0.44069E-03 309 0.207E-01 0.142E-01
DAV: 18 -0.382585986477E+03 -0.93923E-02 -0.27495E-03 318 0.142E-01 0.995E-02
DAV: 19 -0.382596679830E+03 -0.10693E-01 -0.13679E-03 300 0.128E-01 0.716E-02
DAV: 20 -0.382602982428E+03 -0.63026E-02 -0.97929E-04 336 0.100E-01 0.438E-02
DAV: 21 -0.382607418293E+03 -0.44359E-02 -0.36812E-04 309 0.517E-02 0.389E-02
DAV: 22 -0.382610395642E+03 -0.29773E-02 -0.11562E-04 318 0.247E-02 0.289E-02
DAV: 23 -0.382613530390E+03 -0.31347E-02 -0.17103E-04 309 0.287E-02 0.252E-02
DAV: 24 -0.382615511801E+03 -0.19814E-02 -0.13368E-04 309 0.214E-02 0.140E-02
DAV: 25 -0.382616102471E+03 -0.59067E-03 -0.20725E-05 246 0.108E-02 0.757E-03
DAV: 26 -0.382616760572E+03 -0.65810E-03 -0.35811E-05 264 0.104E-02 0.766E-03
DAV: 27 -0.382616981525E+03 -0.22095E-03 -0.47283E-06 228 0.645E-03 0.398E-03
DAV: 28 -0.382617111149E+03 -0.12962E-03 -0.76296E-06 210 0.684E-03 0.329E-03
DAV: 29 -0.382617144483E+03 -0.33334E-04 -0.17471E-06 237 0.374E-03 0.286E-03
DAV: 30 -0.382617195575E+03 -0.51092E-04 -0.23899E-06 192 0.484E-03 0.209E-03
DAV: 31 -0.382617225890E+03 -0.30314E-04 -0.13434E-06 219 0.283E-03 0.140E-03
DAV: 32 -0.382617244188E+03 -0.18298E-04 -0.61614E-07 219 0.176E-03 0.127E-03
DAV: 33 -0.382617254907E+03 -0.10720E-04 -0.62071E-07 219 0.235E-03 0.681E-04
DAV: 34 -0.382617260017E+03 -0.51103E-05 -0.23261E-07 228 0.117E-03
1 F= -.38261726E+03 E0= -.38263453E+03 d E =0.518114E-01