iterations/neb0_image05_iter19_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161961129886E+04 0.16196E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.300032392952E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358430566733E+03 -0.65846E+03 -0.65495E+03 364 0.123E+02
DAV: 4 -0.433366298367E+03 -0.74936E+02 -0.74659E+02 308 0.527E+01
DAV: 5 -0.435029243876E+03 -0.16629E+01 -0.16603E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389022155654E+03 0.46007E+02 -0.14969E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385519547561E+03 0.35026E+01 -0.12556E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384099771083E+03 0.14198E+01 -0.28372E+00 340 0.391E+00 0.435E+00
DAV: 9 -0.383541403743E+03 0.55837E+00 -0.84725E-01 324 0.204E+00 0.118E+00
DAV: 10 -0.383479151003E+03 0.62253E-01 -0.39082E-01 340 0.105E+00 0.819E-01
DAV: 11 -0.383451018472E+03 0.28133E-01 -0.32561E-02 316 0.488E-01 0.690E-01
DAV: 12 -0.383452338441E+03 -0.13200E-02 -0.38498E-01 396 0.761E-01 0.107E+00
DAV: 13 -0.383427484577E+03 0.24854E-01 -0.16336E-01 308 0.482E-01 0.890E-01
DAV: 14 -0.383420395920E+03 0.70887E-02 -0.35229E-02 356 0.254E-01 0.502E-01
DAV: 15 -0.383422912910E+03 -0.25170E-02 -0.20668E-02 308 0.284E-01 0.256E-01
DAV: 16 -0.383429508235E+03 -0.65953E-02 -0.10522E-02 324 0.208E-01 0.283E-01
DAV: 17 -0.383440476559E+03 -0.10968E-01 -0.18419E-02 292 0.206E-01 0.217E-01
DAV: 18 -0.383449960039E+03 -0.94835E-02 -0.30347E-03 308 0.151E-01 0.112E-01
DAV: 19 -0.383460667416E+03 -0.10707E-01 -0.17202E-03 308 0.104E-01 0.781E-02
DAV: 20 -0.383466838281E+03 -0.61709E-02 -0.68953E-04 348 0.685E-02 0.401E-02
DAV: 21 -0.383471098599E+03 -0.42603E-02 -0.25025E-04 308 0.376E-02 0.448E-02
DAV: 22 -0.383475671655E+03 -0.45731E-02 -0.23845E-04 300 0.322E-02 0.242E-02
DAV: 23 -0.383477832142E+03 -0.21605E-02 -0.10281E-04 308 0.216E-02 0.111E-02
DAV: 24 -0.383479554807E+03 -0.17227E-02 -0.75021E-05 300 0.166E-02 0.121E-02
DAV: 25 -0.383480214079E+03 -0.65927E-03 -0.30248E-05 260 0.122E-02 0.895E-03
DAV: 26 -0.383480677992E+03 -0.46391E-03 -0.21665E-05 244 0.912E-03 0.544E-03
DAV: 27 -0.383480734361E+03 -0.56369E-04 -0.39170E-06 236 0.515E-03 0.369E-03
DAV: 28 -0.383480834329E+03 -0.99968E-04 -0.41031E-06 204 0.454E-03 0.175E-03
DAV: 29 -0.383480912279E+03 -0.77950E-04 -0.30012E-06 212 0.325E-03 0.211E-03
DAV: 30 -0.383480934862E+03 -0.22583E-04 -0.83331E-07 228 0.208E-03 0.156E-03
DAV: 31 -0.383480964914E+03 -0.30051E-04 -0.14420E-06 212 0.252E-03 0.605E-04
DAV: 32 -0.383480972194E+03 -0.72802E-05 -0.37944E-07 228 0.134E-03
1 F= -.38348097E+03 E0= -.38349430E+03 d E =0.399689E-01