iterations/neb0_image02_iter54_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 0.144846593085E+04 0.14485E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224435172538E+03 -0.12240E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.363035456913E+03 -0.58747E+03 -0.58436E+03 345 0.114E+02
DAV: 4 -0.433522874724E+03 -0.70487E+02 -0.70253E+02 309 0.508E+01
DAV: 5 -0.435104054961E+03 -0.15812E+01 -0.15786E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389058384273E+03 0.46046E+02 -0.14824E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385579934707E+03 0.34784E+01 -0.13271E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384113029800E+03 0.14669E+01 -0.20113E+00 327 0.378E+00 0.437E+00
DAV: 9 -0.383580151278E+03 0.53288E+00 -0.19674E+00 354 0.242E+00 0.141E+00
DAV: 10 -0.383505705838E+03 0.74445E-01 -0.40532E-01 327 0.118E+00 0.109E+00
DAV: 11 -0.383476314719E+03 0.29391E-01 -0.97368E-02 336 0.620E-01 0.786E-01
DAV: 12 -0.383450930675E+03 0.25384E-01 -0.51195E-02 345 0.572E-01 0.686E-01
DAV: 13 -0.383438386530E+03 0.12544E-01 -0.33897E-02 345 0.508E-01 0.109E+00
DAV: 14 -0.383427040633E+03 0.11346E-01 -0.20765E-01 354 0.482E-01 0.486E-01
DAV: 15 -0.383421268530E+03 0.57721E-02 -0.15585E-02 309 0.331E-01 0.370E-01
DAV: 16 -0.383423342364E+03 -0.20738E-02 -0.30927E-02 318 0.390E-01 0.395E-01
DAV: 17 -0.383428488699E+03 -0.51463E-02 -0.79224E-03 318 0.230E-01 0.229E-01
DAV: 18 -0.383434654499E+03 -0.61658E-02 -0.20443E-03 291 0.139E-01 0.147E-01
DAV: 19 -0.383446821402E+03 -0.12167E-01 -0.29263E-03 300 0.157E-01 0.785E-02
DAV: 20 -0.383453329187E+03 -0.65078E-02 -0.99672E-04 327 0.863E-02 0.918E-02
DAV: 21 -0.383459459122E+03 -0.61299E-02 -0.43276E-04 345 0.619E-02 0.473E-02
DAV: 22 -0.383466154696E+03 -0.66956E-02 -0.36001E-04 291 0.413E-02 0.398E-02
DAV: 23 -0.383468406482E+03 -0.22518E-02 -0.11215E-04 336 0.244E-02 0.228E-02
DAV: 24 -0.383471286692E+03 -0.28802E-02 -0.16533E-04 300 0.254E-02 0.161E-02
DAV: 25 -0.383472046396E+03 -0.75970E-03 -0.23827E-05 255 0.997E-03 0.148E-02
DAV: 26 -0.383472699998E+03 -0.65360E-03 -0.30474E-05 273 0.126E-02 0.589E-03
DAV: 27 -0.383473036686E+03 -0.33669E-03 -0.83505E-06 228 0.687E-03 0.309E-03
DAV: 28 -0.383473178199E+03 -0.14151E-03 -0.51274E-06 237 0.416E-03 0.179E-03
DAV: 29 -0.383473289060E+03 -0.11086E-03 -0.33540E-06 210 0.394E-03 0.226E-03
DAV: 30 -0.383473341568E+03 -0.52509E-04 -0.18845E-06 219 0.271E-03 0.257E-03
DAV: 31 -0.383473373833E+03 -0.32265E-04 -0.15747E-06 201 0.287E-03 0.100E-03
DAV: 32 -0.383473386104E+03 -0.12271E-04 -0.71571E-07 228 0.180E-03 0.969E-04
DAV: 33 -0.383473390636E+03 -0.45318E-05 -0.26527E-07 228 0.104E-03
1 F= -.38347339E+03 E0= -.38348964E+03 d E =0.487481E-01