iterations/neb0_image08_iter58_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 0.144236359750E+04 0.14424E+04 -0.44174E+04 330 0.697E+02
DAV: 2 0.226793178628E+03 -0.12156E+04 -0.11396E+04 426 0.163E+02
DAV: 3 -0.358598214199E+03 -0.58539E+03 -0.58183E+03 354 0.114E+02
DAV: 4 -0.428388115447E+03 -0.69790E+02 -0.69497E+02 309 0.505E+01
DAV: 5 -0.430029960761E+03 -0.16418E+01 -0.16389E+01 345 0.785E+00 0.423E+01
DAV: 6 -0.384891394851E+03 0.45139E+02 -0.14833E+02 309 0.287E+01 0.207E+01
DAV: 7 -0.381575648501E+03 0.33157E+01 -0.12003E+01 336 0.774E+00 0.103E+01
DAV: 8 -0.380130714339E+03 0.14449E+01 -0.18394E+00 336 0.384E+00 0.419E+00
DAV: 9 -0.379605766752E+03 0.52495E+00 -0.87215E-01 327 0.191E+00 0.124E+00
DAV: 10 -0.379558426625E+03 0.47340E-01 -0.45701E-01 372 0.974E-01 0.105E+00
DAV: 11 -0.379520896305E+03 0.37530E-01 -0.12610E-01 363 0.634E-01 0.709E-01
DAV: 12 -0.379501766158E+03 0.19130E-01 -0.19622E-02 336 0.394E-01 0.428E-01
DAV: 13 -0.379481608871E+03 0.20157E-01 -0.21335E-02 309 0.426E-01 0.292E-01
DAV: 14 -0.379481135363E+03 0.47351E-03 -0.95327E-03 336 0.301E-01 0.204E-01
DAV: 15 -0.379486100853E+03 -0.49655E-02 -0.34327E-03 309 0.198E-01 0.190E-01
DAV: 16 -0.379494839278E+03 -0.87384E-02 -0.32027E-03 300 0.179E-01 0.852E-02
DAV: 17 -0.379506474177E+03 -0.11635E-01 -0.41454E-03 309 0.183E-01 0.673E-02
DAV: 18 -0.379516056001E+03 -0.95818E-02 -0.17438E-03 327 0.117E-01 0.506E-02
DAV: 19 -0.379521909079E+03 -0.58531E-02 -0.26548E-04 336 0.440E-02 0.336E-02
DAV: 20 -0.379527676656E+03 -0.57676E-02 -0.31922E-04 309 0.367E-02 0.257E-02
DAV: 21 -0.379531390299E+03 -0.37136E-02 -0.18662E-04 300 0.262E-02 0.145E-02
DAV: 22 -0.379533501006E+03 -0.21107E-02 -0.96311E-05 291 0.176E-02 0.991E-03
DAV: 23 -0.379534615564E+03 -0.11146E-02 -0.42527E-05 291 0.120E-02 0.678E-03
DAV: 24 -0.379535326899E+03 -0.71133E-03 -0.23321E-05 246 0.836E-03 0.373E-03
DAV: 25 -0.379535667954E+03 -0.34106E-03 -0.11449E-05 219 0.716E-03 0.205E-03
DAV: 26 -0.379535793733E+03 -0.12578E-03 -0.48589E-06 228 0.474E-03 0.189E-03
DAV: 27 -0.379535867709E+03 -0.73977E-04 -0.29627E-06 210 0.411E-03 0.112E-03
DAV: 28 -0.379535901869E+03 -0.34160E-04 -0.18349E-06 219 0.269E-03 0.112E-03
DAV: 29 -0.379535917800E+03 -0.15931E-04 -0.82400E-07 219 0.228E-03 0.440E-04
DAV: 30 -0.379535932841E+03 -0.15041E-04 -0.78385E-07 219 0.192E-03 0.842E-04
DAV: 31 -0.379535936343E+03 -0.35025E-05 -0.27219E-07 219 0.145E-03
1 F= -.37953594E+03 E0= -.37955441E+03 d E =0.554258E-01