iterations/neb0_image06_iter6_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 0.145118571930E+04 0.14512E+04 -0.44223E+04 330 0.697E+02
DAV: 2 0.227897107967E+03 -0.12233E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.365253229201E+03 -0.59315E+03 -0.58984E+03 354 0.114E+02
DAV: 4 -0.433104139600E+03 -0.67851E+02 -0.67603E+02 309 0.490E+01
DAV: 5 -0.434596212909E+03 -0.14921E+01 -0.14894E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388794832273E+03 0.45801E+02 -0.14819E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385354702695E+03 0.34401E+01 -0.13271E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383918522600E+03 0.14362E+01 -0.25104E+00 345 0.394E+00 0.440E+00
DAV: 9 -0.383360903626E+03 0.55762E+00 -0.12413E+00 345 0.239E+00 0.127E+00
DAV: 10 -0.383292965113E+03 0.67939E-01 -0.28672E-01 327 0.119E+00 0.881E-01
DAV: 11 -0.383261241816E+03 0.31723E-01 -0.49778E-02 327 0.561E-01 0.675E-01
DAV: 12 -0.383238184601E+03 0.23057E-01 -0.31475E-02 345 0.518E-01 0.591E-01
DAV: 13 -0.383231941480E+03 0.62431E-02 -0.66749E-02 327 0.536E-01 0.988E-01
DAV: 14 -0.383223165592E+03 0.87759E-02 -0.13211E-01 336 0.400E-01 0.671E-01
DAV: 15 -0.383219499645E+03 0.36659E-02 -0.40335E-02 327 0.266E-01 0.344E-01
DAV: 16 -0.383220867602E+03 -0.13680E-02 -0.18253E-02 309 0.336E-01 0.258E-01
DAV: 17 -0.383227467130E+03 -0.65995E-02 -0.55730E-03 327 0.211E-01 0.164E-01
DAV: 18 -0.383238109850E+03 -0.10643E-01 -0.30035E-03 291 0.183E-01 0.146E-01
DAV: 19 -0.383245976560E+03 -0.78667E-02 -0.20124E-03 318 0.137E-01 0.905E-02
DAV: 20 -0.383254767155E+03 -0.87906E-02 -0.11057E-03 345 0.101E-01 0.673E-02
DAV: 21 -0.383261482529E+03 -0.67154E-02 -0.37886E-04 309 0.491E-02 0.516E-02
DAV: 22 -0.383264867549E+03 -0.33850E-02 -0.14333E-04 336 0.247E-02 0.386E-02
DAV: 23 -0.383267857920E+03 -0.29904E-02 -0.15017E-04 300 0.251E-02 0.161E-02
DAV: 24 -0.383269699500E+03 -0.18416E-02 -0.88881E-05 327 0.185E-02 0.145E-02
DAV: 25 -0.383270555012E+03 -0.85551E-03 -0.29619E-05 264 0.104E-02 0.969E-03
DAV: 26 -0.383270891013E+03 -0.33600E-03 -0.96738E-06 228 0.649E-03 0.619E-03
DAV: 27 -0.383271185418E+03 -0.29441E-03 -0.14452E-05 228 0.708E-03 0.404E-03
DAV: 28 -0.383271249596E+03 -0.64178E-04 -0.24046E-06 237 0.372E-03 0.371E-03
DAV: 29 -0.383271307309E+03 -0.57713E-04 -0.15159E-06 192 0.309E-03 0.296E-03
DAV: 30 -0.383271338728E+03 -0.31419E-04 -0.10038E-06 219 0.238E-03 0.166E-03
DAV: 31 -0.383271358233E+03 -0.19505E-04 -0.64254E-07 219 0.203E-03 0.137E-03
DAV: 32 -0.383271384785E+03 -0.26552E-04 -0.10527E-06 192 0.218E-03 0.735E-04
DAV: 33 -0.383271386147E+03 -0.13621E-05 -0.21863E-07 237 0.111E-03
1 F= -.38327139E+03 E0= -.38328806E+03 d E =0.500071E-01