iterations/neb0_image03_iter69_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 0.145294835840E+04 0.14529E+04 -0.44208E+04 330 0.697E+02
DAV: 2 0.226572710059E+03 -0.12264E+04 -0.11511E+04 435 0.163E+02
DAV: 3 -0.361892910797E+03 -0.58847E+03 -0.58469E+03 345 0.114E+02
DAV: 4 -0.433214113813E+03 -0.71321E+02 -0.71073E+02 309 0.510E+01
DAV: 5 -0.434817147581E+03 -0.16030E+01 -0.16003E+01 327 0.787E+00 0.428E+01
DAV: 6 -0.388290697009E+03 0.46526E+02 -0.14916E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.384797522905E+03 0.34932E+01 -0.13631E+01 336 0.788E+00 0.105E+01
DAV: 8 -0.383340804970E+03 0.14567E+01 -0.22514E+00 345 0.384E+00 0.440E+00
DAV: 9 -0.382777234526E+03 0.56357E+00 -0.13957E+00 336 0.231E+00 0.127E+00
DAV: 10 -0.382704109781E+03 0.73125E-01 -0.23340E-01 327 0.109E+00 0.986E-01
DAV: 11 -0.382682957442E+03 0.21152E-01 -0.22897E-01 336 0.628E-01 0.894E-01
DAV: 12 -0.382671736404E+03 0.11221E-01 -0.34840E-01 345 0.726E-01 0.793E-01
DAV: 13 -0.382648223127E+03 0.23513E-01 -0.66619E-02 345 0.513E-01 0.567E-01
DAV: 14 -0.382638750380E+03 0.94727E-02 -0.21521E-02 309 0.378E-01 0.406E-01
DAV: 15 -0.382635812743E+03 0.29376E-02 -0.34445E-02 318 0.409E-01 0.290E-01
DAV: 16 -0.382639205522E+03 -0.33928E-02 -0.60875E-03 318 0.280E-01 0.163E-01
DAV: 17 -0.382646731840E+03 -0.75263E-02 -0.25219E-03 300 0.163E-01 0.108E-01
DAV: 18 -0.382658754975E+03 -0.12023E-01 -0.21605E-03 291 0.148E-01 0.104E-01
DAV: 19 -0.382666568751E+03 -0.78138E-02 -0.14580E-03 336 0.119E-01 0.987E-02
DAV: 20 -0.382673461563E+03 -0.68928E-02 -0.92689E-04 309 0.842E-02 0.591E-02
DAV: 21 -0.382677754208E+03 -0.42926E-02 -0.35468E-04 354 0.553E-02 0.475E-02
DAV: 22 -0.382681007941E+03 -0.32537E-02 -0.14765E-04 291 0.340E-02 0.212E-02
DAV: 23 -0.382684621382E+03 -0.36134E-02 -0.20017E-04 318 0.279E-02 0.144E-02
DAV: 24 -0.382686470044E+03 -0.18487E-02 -0.89303E-05 309 0.200E-02 0.119E-02
DAV: 25 -0.382687473240E+03 -0.10032E-02 -0.45525E-05 300 0.154E-02 0.150E-02
DAV: 26 -0.382687875800E+03 -0.40256E-03 -0.10930E-05 228 0.979E-03 0.427E-03
DAV: 27 -0.382688188510E+03 -0.31271E-03 -0.25892E-05 255 0.108E-02 0.775E-03
DAV: 28 -0.382688232427E+03 -0.43917E-04 -0.16396E-06 246 0.491E-03 0.387E-03
DAV: 29 -0.382688293440E+03 -0.61013E-04 -0.40636E-06 201 0.553E-03 0.162E-03
DAV: 30 -0.382688361678E+03 -0.68238E-04 -0.13937E-06 210 0.307E-03 0.115E-03
DAV: 31 -0.382688400365E+03 -0.38687E-04 -0.11448E-06 219 0.206E-03 0.709E-04
DAV: 32 -0.382688421237E+03 -0.20872E-04 -0.64408E-07 210 0.151E-03 0.735E-04
DAV: 33 -0.382688430359E+03 -0.91219E-05 -0.41618E-07 228 0.144E-03
1 F= -.38268843E+03 E0= -.38270121E+03 d E =0.383486E-01