iterations/neb0_image04_iter10_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 0.144981192601E+04 0.14498E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.225440736030E+03 -0.12244E+04 -0.11497E+04 435 0.163E+02
DAV: 3 -0.362389039011E+03 -0.58783E+03 -0.58451E+03 345 0.114E+02
DAV: 4 -0.433335702188E+03 -0.70947E+02 -0.70686E+02 318 0.509E+01
DAV: 5 -0.434923563058E+03 -0.15879E+01 -0.15854E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389022314265E+03 0.45901E+02 -0.14769E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385567682822E+03 0.34546E+01 -0.13440E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384100968674E+03 0.14667E+01 -0.20664E+00 327 0.384E+00 0.432E+00
DAV: 9 -0.383556464129E+03 0.54450E+00 -0.13980E+00 327 0.237E+00 0.132E+00
DAV: 10 -0.383503338340E+03 0.53126E-01 -0.44770E-01 336 0.116E+00 0.988E-01
DAV: 11 -0.383462341957E+03 0.40996E-01 -0.10068E-01 345 0.654E-01 0.731E-01
DAV: 12 -0.383452833443E+03 0.95085E-02 -0.93324E-02 345 0.709E-01 0.947E-01
DAV: 13 -0.383431786502E+03 0.21047E-01 -0.12727E-01 363 0.512E-01 0.607E-01
DAV: 14 -0.383421096317E+03 0.10690E-01 -0.45751E-02 318 0.386E-01 0.298E-01
DAV: 15 -0.383418681751E+03 0.24146E-02 -0.15639E-02 309 0.383E-01 0.279E-01
DAV: 16 -0.383423796185E+03 -0.51144E-02 -0.10738E-02 354 0.272E-01 0.320E-01
DAV: 17 -0.383428215758E+03 -0.44196E-02 -0.26828E-03 282 0.166E-01 0.152E-01
DAV: 18 -0.383440049117E+03 -0.11833E-01 -0.55868E-03 336 0.240E-01 0.229E-01
DAV: 19 -0.383445314512E+03 -0.52654E-02 -0.36107E-03 354 0.171E-01 0.117E-01
DAV: 20 -0.383449688592E+03 -0.43741E-02 -0.10378E-03 291 0.849E-02 0.111E-01
DAV: 21 -0.383453223012E+03 -0.35344E-02 -0.47714E-04 345 0.512E-02 0.105E-01
DAV: 22 -0.383459053907E+03 -0.58309E-02 -0.47913E-04 309 0.637E-02 0.643E-02
DAV: 23 -0.383460966391E+03 -0.19125E-02 -0.28925E-04 327 0.373E-02 0.407E-02
DAV: 24 -0.383464382038E+03 -0.34156E-02 -0.20253E-04 291 0.349E-02 0.305E-02
DAV: 25 -0.383466702747E+03 -0.23207E-02 -0.13054E-04 318 0.233E-02 0.281E-02
DAV: 26 -0.383467854434E+03 -0.11517E-02 -0.42673E-05 291 0.136E-02 0.149E-02
DAV: 27 -0.383468565960E+03 -0.71153E-03 -0.32852E-05 282 0.129E-02 0.113E-02
DAV: 28 -0.383468822888E+03 -0.25693E-03 -0.79127E-06 246 0.741E-03 0.424E-03
DAV: 29 -0.383469101765E+03 -0.27888E-03 -0.13325E-05 237 0.664E-03 0.595E-03
DAV: 30 -0.383469168358E+03 -0.66594E-04 -0.21384E-06 237 0.384E-03 0.344E-03
DAV: 31 -0.383469243844E+03 -0.75486E-04 -0.38381E-06 219 0.436E-03 0.485E-03
DAV: 32 -0.383469263740E+03 -0.19896E-04 -0.84945E-07 228 0.293E-03 0.199E-03
DAV: 33 -0.383469283007E+03 -0.19267E-04 -0.11651E-06 219 0.239E-03 0.255E-03
DAV: 34 -0.383469297925E+03 -0.14918E-04 -0.50951E-07 210 0.204E-03 0.108E-03
DAV: 35 -0.383469304840E+03 -0.69145E-05 -0.31684E-07 228 0.113E-03
1 F= -.38346930E+03 E0= -.38348604E+03 d E =0.502040E-01