./iterations/neb0_image06_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 0.145093883677E+04 0.14509E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.227875606748E+03 -0.12231E+04 -0.11471E+04 426 0.163E+02
DAV: 3 -0.365136409550E+03 -0.59301E+03 -0.58971E+03 354 0.114E+02
DAV: 4 -0.433043583153E+03 -0.67907E+02 -0.67650E+02 318 0.490E+01
DAV: 5 -0.434527757483E+03 -0.14842E+01 -0.14818E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388767303685E+03 0.45760E+02 -0.14809E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385335578055E+03 0.34317E+01 -0.13360E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383894821804E+03 0.14408E+01 -0.25628E+00 345 0.394E+00 0.438E+00
DAV: 9 -0.383344211780E+03 0.55061E+00 -0.86360E-01 336 0.234E+00 0.127E+00
DAV: 10 -0.383261254119E+03 0.82958E-01 -0.25597E-01 327 0.119E+00 0.957E-01
DAV: 11 -0.383243514403E+03 0.17740E-01 -0.17716E-01 327 0.659E-01 0.852E-01
DAV: 12 -0.383228432224E+03 0.15082E-01 -0.23101E-01 345 0.633E-01 0.937E-01
DAV: 13 -0.383210634055E+03 0.17798E-01 -0.27645E-02 363 0.496E-01 0.630E-01
DAV: 14 -0.383201409355E+03 0.92247E-02 -0.11950E-02 336 0.335E-01 0.443E-01
DAV: 15 -0.383194954968E+03 0.64544E-02 -0.16753E-02 300 0.420E-01 0.256E-01
DAV: 16 -0.383199234325E+03 -0.42794E-02 -0.82840E-03 336 0.252E-01 0.144E-01
DAV: 17 -0.383207458879E+03 -0.82246E-02 -0.29495E-03 300 0.153E-01 0.152E-01
DAV: 18 -0.383219725731E+03 -0.12267E-01 -0.51036E-03 300 0.214E-01 0.124E-01
DAV: 19 -0.383225836142E+03 -0.61104E-02 -0.19567E-03 327 0.134E-01 0.827E-02
DAV: 20 -0.383230976156E+03 -0.51400E-02 -0.65570E-04 327 0.698E-02 0.549E-02
DAV: 21 -0.383237113504E+03 -0.61373E-02 -0.45510E-04 300 0.482E-02 0.410E-02
DAV: 22 -0.383242521571E+03 -0.54081E-02 -0.26935E-04 318 0.349E-02 0.242E-02
DAV: 23 -0.383245315471E+03 -0.27939E-02 -0.14925E-04 318 0.257E-02 0.141E-02
DAV: 24 -0.383247108057E+03 -0.17926E-02 -0.55620E-05 282 0.150E-02 0.947E-03
DAV: 25 -0.383248606422E+03 -0.14984E-02 -0.78207E-05 282 0.147E-02 0.540E-03
DAV: 26 -0.383249084866E+03 -0.47844E-03 -0.16590E-05 246 0.931E-03 0.648E-03
DAV: 27 -0.383249418189E+03 -0.33332E-03 -0.11927E-05 219 0.706E-03 0.572E-03
DAV: 28 -0.383249509764E+03 -0.91575E-04 -0.48531E-06 237 0.480E-03 0.251E-03
DAV: 29 -0.383249579509E+03 -0.69745E-04 -0.33835E-06 201 0.463E-03 0.185E-03
DAV: 30 -0.383249604238E+03 -0.24729E-04 -0.13371E-06 228 0.254E-03 0.201E-03
DAV: 31 -0.383249625634E+03 -0.21395E-04 -0.74630E-07 201 0.187E-03 0.143E-03
DAV: 32 -0.383249638823E+03 -0.13190E-04 -0.72980E-07 219 0.222E-03 0.788E-04
DAV: 33 -0.383249646284E+03 -0.74602E-05 -0.29845E-07 219 0.128E-03
1 F= -.38324965E+03 E0= -.38326641E+03 d E =0.502799E-01