iterations/neb0_image09_iter26_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 0.145060873055E+04 0.14506E+04 -0.44254E+04 330 0.697E+02
DAV: 2 0.230314235659E+03 -0.12203E+04 -0.11459E+04 426 0.163E+02
DAV: 3 -0.361819870963E+03 -0.59213E+03 -0.58764E+03 354 0.114E+02
DAV: 4 -0.432468870077E+03 -0.70649E+02 -0.70384E+02 309 0.496E+01
DAV: 5 -0.434067218234E+03 -0.15983E+01 -0.15953E+01 318 0.778E+00 0.426E+01
DAV: 6 -0.388394266209E+03 0.45673E+02 -0.14847E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384972371677E+03 0.34219E+01 -0.12625E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383518602461E+03 0.14538E+01 -0.19951E+00 336 0.380E+00 0.431E+00
DAV: 9 -0.382978603975E+03 0.54000E+00 -0.11730E+00 336 0.230E+00 0.108E+00
DAV: 10 -0.382907844042E+03 0.70760E-01 -0.13485E-01 327 0.100E+00 0.888E-01
DAV: 11 -0.382868175963E+03 0.39668E-01 -0.96281E-02 363 0.748E-01 0.655E-01
DAV: 12 -0.382846916172E+03 0.21260E-01 -0.31748E-02 345 0.491E-01 0.433E-01
DAV: 13 -0.382839883966E+03 0.70322E-02 -0.16048E-01 327 0.532E-01 0.750E-01
DAV: 14 -0.382830315266E+03 0.95687E-02 -0.18974E-02 318 0.317E-01 0.362E-01
DAV: 15 -0.382830887722E+03 -0.57246E-03 -0.66908E-03 291 0.255E-01 0.256E-01
DAV: 16 -0.382837977531E+03 -0.70898E-02 -0.85933E-03 327 0.249E-01 0.165E-01
DAV: 17 -0.382847488300E+03 -0.95108E-02 -0.28100E-03 291 0.189E-01 0.110E-01
DAV: 18 -0.382856043462E+03 -0.85552E-02 -0.18795E-03 318 0.136E-01 0.697E-02
DAV: 19 -0.382866079390E+03 -0.10036E-01 -0.11607E-03 309 0.108E-01 0.520E-02
DAV: 20 -0.382870276632E+03 -0.41972E-02 -0.34598E-04 327 0.499E-02 0.353E-02
DAV: 21 -0.382873279777E+03 -0.30031E-02 -0.98655E-05 327 0.223E-02 0.306E-02
DAV: 22 -0.382879332014E+03 -0.60522E-02 -0.44997E-04 282 0.385E-02 0.223E-02
DAV: 23 -0.382880792334E+03 -0.14603E-02 -0.77132E-05 327 0.183E-02 0.177E-02
DAV: 24 -0.382881770102E+03 -0.97777E-03 -0.62530E-05 291 0.187E-02 0.152E-02
DAV: 25 -0.382882337942E+03 -0.56784E-03 -0.16690E-05 237 0.106E-02 0.827E-03
DAV: 26 -0.382882713701E+03 -0.37576E-03 -0.16451E-05 237 0.852E-03 0.396E-03
DAV: 27 -0.382882899550E+03 -0.18585E-03 -0.54254E-06 228 0.571E-03 0.304E-03
DAV: 28 -0.382883007191E+03 -0.10764E-03 -0.33961E-06 210 0.434E-03 0.275E-03
DAV: 29 -0.382883093115E+03 -0.85924E-04 -0.26743E-06 201 0.339E-03 0.159E-03
DAV: 30 -0.382883132175E+03 -0.39061E-04 -0.14979E-06 210 0.257E-03 0.117E-03
DAV: 31 -0.382883151310E+03 -0.19134E-04 -0.94703E-07 219 0.217E-03 0.168E-03
DAV: 32 -0.382883163705E+03 -0.12395E-04 -0.60995E-07 210 0.202E-03 0.571E-04
DAV: 33 -0.382883168425E+03 -0.47202E-05 -0.28880E-07 219 0.106E-03
1 F= -.38288317E+03 E0= -.38290017E+03 d E =0.510114E-01