./iterations/neb0_image01_iter13_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 0.144726420510E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224169376881E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363090735265E+03 -0.58726E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433521172272E+03 -0.70430E+02 -0.70155E+02 318 0.508E+01
DAV: 5 -0.435093252899E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102885400E+03 0.45990E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628867151E+03 0.34740E+01 -0.13521E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384151118048E+03 0.14777E+01 -0.21003E+00 327 0.381E+00 0.433E+00
DAV: 9 -0.383608273390E+03 0.54284E+00 -0.17048E+00 336 0.241E+00 0.138E+00
DAV: 10 -0.383543074659E+03 0.65199E-01 -0.34550E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383516551067E+03 0.26524E-01 -0.23252E-01 345 0.643E-01 0.984E-01
DAV: 12 -0.383492932650E+03 0.23618E-01 -0.24419E-01 327 0.700E-01 0.880E-01
DAV: 13 -0.383478160201E+03 0.14772E-01 -0.17176E-01 354 0.539E-01 0.734E-01
DAV: 14 -0.383464627505E+03 0.13533E-01 -0.35736E-02 354 0.395E-01 0.396E-01
DAV: 15 -0.383462067935E+03 0.25596E-02 -0.15777E-02 309 0.377E-01 0.274E-01
DAV: 16 -0.383467406989E+03 -0.53391E-02 -0.88867E-03 327 0.263E-01 0.206E-01
DAV: 17 -0.383474590174E+03 -0.71832E-02 -0.27739E-03 291 0.166E-01 0.165E-01
DAV: 18 -0.383483203783E+03 -0.86136E-02 -0.31038E-03 363 0.182E-01 0.144E-01
DAV: 19 -0.383492500497E+03 -0.92967E-02 -0.64936E-03 363 0.194E-01 0.227E-01
DAV: 20 -0.383493077586E+03 -0.57709E-03 -0.14461E-03 318 0.870E-02 0.138E-01
DAV: 21 -0.383495897107E+03 -0.28195E-02 -0.59007E-04 309 0.518E-02 0.131E-01
DAV: 22 -0.383501567362E+03 -0.56703E-02 -0.59415E-04 309 0.590E-02 0.621E-02
DAV: 23 -0.383505937605E+03 -0.43702E-02 -0.24904E-04 345 0.391E-02 0.528E-02
DAV: 24 -0.383509230914E+03 -0.32933E-02 -0.16179E-04 291 0.307E-02 0.188E-02
DAV: 25 -0.383511284742E+03 -0.20538E-02 -0.13329E-04 327 0.238E-02 0.201E-02
DAV: 26 -0.383512138505E+03 -0.85376E-03 -0.28741E-05 291 0.135E-02 0.169E-02
DAV: 27 -0.383512701455E+03 -0.56295E-03 -0.20834E-05 237 0.988E-03 0.914E-03
DAV: 28 -0.383513287086E+03 -0.58563E-03 -0.35469E-05 300 0.115E-02 0.842E-03
DAV: 29 -0.383513540694E+03 -0.25361E-03 -0.73870E-06 219 0.659E-03 0.571E-03
DAV: 30 -0.383513614433E+03 -0.73739E-04 -0.60782E-06 246 0.446E-03 0.335E-03
DAV: 31 -0.383513658416E+03 -0.43983E-04 -0.13881E-06 201 0.274E-03 0.340E-03
DAV: 32 -0.383513728042E+03 -0.69625E-04 -0.24769E-06 210 0.307E-03 0.209E-03
DAV: 33 -0.383513747476E+03 -0.19435E-04 -0.90933E-07 228 0.207E-03 0.140E-03
DAV: 34 -0.383513761883E+03 -0.14406E-04 -0.70313E-07 201 0.183E-03 0.151E-03
DAV: 35 -0.383513769803E+03 -0.79204E-05 -0.42522E-07 228 0.122E-03
1 F= -.38351377E+03 E0= -.38353044E+03 d E =0.499984E-01