iterations/neb0_image02_iter30_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 0.144776475294E+04 0.14478E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224330404415E+03 -0.12234E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.362849472990E+03 -0.58718E+03 -0.58405E+03 345 0.114E+02
DAV: 4 -0.433431796860E+03 -0.70582E+02 -0.70344E+02 309 0.508E+01
DAV: 5 -0.435015729830E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389082559703E+03 0.45933E+02 -0.14797E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385618330059E+03 0.34642E+01 -0.13471E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384141258720E+03 0.14771E+01 -0.20630E+00 327 0.381E+00 0.431E+00
DAV: 9 -0.383604281072E+03 0.53698E+00 -0.16793E+00 345 0.243E+00 0.140E+00
DAV: 10 -0.383543514560E+03 0.60767E-01 -0.42961E-01 318 0.117E+00 0.102E+00
DAV: 11 -0.383507139507E+03 0.36375E-01 -0.13882E-01 336 0.656E-01 0.864E-01
DAV: 12 -0.383490533607E+03 0.16606E-01 -0.18436E-01 345 0.721E-01 0.916E-01
DAV: 13 -0.383475081629E+03 0.15452E-01 -0.18451E-01 363 0.548E-01 0.742E-01
DAV: 14 -0.383460691838E+03 0.14390E-01 -0.72443E-02 345 0.394E-01 0.389E-01
DAV: 15 -0.383458548527E+03 0.21433E-02 -0.26306E-02 309 0.381E-01 0.378E-01
DAV: 16 -0.383461485381E+03 -0.29369E-02 -0.17568E-02 354 0.266E-01 0.229E-01
DAV: 17 -0.383467629586E+03 -0.61442E-02 -0.32773E-03 282 0.174E-01 0.180E-01
DAV: 18 -0.383476365894E+03 -0.87363E-02 -0.38619E-03 363 0.210E-01 0.154E-01
DAV: 19 -0.383483494400E+03 -0.71285E-02 -0.26965E-03 336 0.142E-01 0.144E-01
DAV: 20 -0.383484217482E+03 -0.72308E-03 -0.14052E-03 327 0.688E-02 0.867E-02
DAV: 21 -0.383491918693E+03 -0.77012E-02 -0.10560E-03 300 0.819E-02 0.115E-01
DAV: 22 -0.383496220276E+03 -0.43016E-02 -0.46213E-04 327 0.546E-02 0.479E-02
DAV: 23 -0.383502613770E+03 -0.63935E-02 -0.47583E-04 300 0.523E-02 0.317E-02
DAV: 24 -0.383504992173E+03 -0.23784E-02 -0.17669E-04 336 0.289E-02 0.395E-02
DAV: 25 -0.383505463151E+03 -0.47098E-03 -0.19817E-05 300 0.134E-02 0.252E-02
DAV: 26 -0.383506864220E+03 -0.14011E-02 -0.98033E-05 300 0.201E-02 0.149E-02
DAV: 27 -0.383508078301E+03 -0.12141E-02 -0.52454E-05 309 0.135E-02 0.112E-02
DAV: 28 -0.383508686525E+03 -0.60822E-03 -0.28427E-05 264 0.980E-03 0.789E-03
DAV: 29 -0.383508831504E+03 -0.14498E-03 -0.42712E-06 237 0.523E-03 0.523E-03
DAV: 30 -0.383508984422E+03 -0.15292E-03 -0.70001E-06 210 0.529E-03 0.248E-03
DAV: 31 -0.383509053700E+03 -0.69278E-04 -0.19935E-06 228 0.363E-03 0.197E-03
DAV: 32 -0.383509092551E+03 -0.38851E-04 -0.10490E-06 210 0.228E-03 0.119E-03
DAV: 33 -0.383509123754E+03 -0.31203E-04 -0.12288E-06 219 0.232E-03 0.186E-03
DAV: 34 -0.383509131945E+03 -0.81910E-05 -0.43623E-07 228 0.187E-03
1 F= -.38350913E+03 E0= -.38352583E+03 d E =0.500886E-01