./iterations/neb0_image02_iter25_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 0.144809599366E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224463561515E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362872688480E+03 -0.58734E+03 -0.58421E+03 345 0.114E+02
DAV: 4 -0.433472307912E+03 -0.70600E+02 -0.70362E+02 309 0.508E+01
DAV: 5 -0.435056131742E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389087049358E+03 0.45969E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385621016157E+03 0.34660E+01 -0.13482E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384141200437E+03 0.14798E+01 -0.20558E+00 327 0.382E+00 0.431E+00
DAV: 9 -0.383586474356E+03 0.55473E+00 -0.96306E-01 336 0.226E+00 0.117E+00
DAV: 10 -0.383525995783E+03 0.60479E-01 -0.21664E-01 327 0.101E+00 0.108E+00
DAV: 11 -0.383504024536E+03 0.21971E-01 -0.64006E-02 318 0.628E-01 0.900E-01
DAV: 12 -0.383480487246E+03 0.23537E-01 -0.99490E-02 327 0.469E-01 0.840E-01
DAV: 13 -0.383472501081E+03 0.79862E-02 -0.99653E-02 390 0.473E-01 0.671E-01
DAV: 14 -0.383453978031E+03 0.18523E-01 -0.56777E-02 327 0.461E-01 0.324E-01
DAV: 15 -0.383454095510E+03 -0.11748E-03 -0.17538E-02 318 0.318E-01 0.182E-01
DAV: 16 -0.383459499828E+03 -0.54043E-02 -0.44138E-03 309 0.198E-01 0.167E-01
DAV: 17 -0.383466920274E+03 -0.74204E-02 -0.17253E-03 309 0.139E-01 0.146E-01
DAV: 18 -0.383480084125E+03 -0.13164E-01 -0.34852E-03 309 0.177E-01 0.627E-02
DAV: 19 -0.383487462048E+03 -0.73779E-02 -0.15574E-03 309 0.115E-01 0.490E-02
DAV: 20 -0.383493239127E+03 -0.57771E-02 -0.42974E-04 336 0.529E-02 0.521E-02
DAV: 21 -0.383500998524E+03 -0.77594E-02 -0.48776E-04 291 0.449E-02 0.383E-02
DAV: 22 -0.383504845490E+03 -0.38470E-02 -0.24066E-04 336 0.332E-02 0.206E-02
DAV: 23 -0.383505897077E+03 -0.10516E-02 -0.42206E-05 318 0.171E-02 0.135E-02
DAV: 24 -0.383506767939E+03 -0.87086E-03 -0.13099E-05 219 0.866E-03 0.112E-02
DAV: 25 -0.383508816838E+03 -0.20489E-02 -0.16686E-04 282 0.200E-02 0.847E-03
DAV: 26 -0.383508947305E+03 -0.13047E-03 -0.58374E-06 237 0.622E-03 0.380E-03
DAV: 27 -0.383509159875E+03 -0.21257E-03 -0.74960E-06 210 0.574E-03 0.386E-03
DAV: 28 -0.383509338948E+03 -0.17907E-03 -0.53361E-06 219 0.433E-03 0.192E-03
DAV: 29 -0.383509402862E+03 -0.63914E-04 -0.23848E-06 228 0.303E-03 0.166E-03
DAV: 30 -0.383509460917E+03 -0.58055E-04 -0.23528E-06 183 0.266E-03 0.114E-03
DAV: 31 -0.383509477166E+03 -0.16249E-04 -0.92676E-07 228 0.218E-03 0.702E-04
DAV: 32 -0.383509487142E+03 -0.99766E-05 -0.47997E-07 201 0.124E-03
1 F= -.38350949E+03 E0= -.38352602E+03 d E =0.496087E-01