iterations/neb0_image03_iter13_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 0.161853245955E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297615834856E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357363211135E+03 -0.65498E+03 -0.65137E+03 364 0.123E+02
DAV: 4 -0.433426712442E+03 -0.76064E+02 -0.75745E+02 316 0.521E+01
DAV: 5 -0.435165482427E+03 -0.17388E+01 -0.17366E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389095296584E+03 0.46070E+02 -0.15142E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385598800341E+03 0.34965E+01 -0.12391E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384161353374E+03 0.14374E+01 -0.27775E+00 332 0.389E+00 0.434E+00
DAV: 9 -0.383598606801E+03 0.56275E+00 -0.83733E-01 324 0.203E+00 0.120E+00
DAV: 10 -0.383538222500E+03 0.60384E-01 -0.42767E-01 340 0.105E+00 0.812E-01
DAV: 11 -0.383509598024E+03 0.28624E-01 -0.33481E-02 316 0.488E-01 0.704E-01
DAV: 12 -0.383505261857E+03 0.43362E-02 -0.33995E-01 404 0.768E-01 0.106E+00
DAV: 13 -0.383484282377E+03 0.20979E-01 -0.19556E-01 316 0.474E-01 0.913E-01
DAV: 14 -0.383476516939E+03 0.77654E-02 -0.33932E-02 364 0.249E-01 0.441E-01
DAV: 15 -0.383479815431E+03 -0.32985E-02 -0.87793E-03 300 0.244E-01 0.239E-01
DAV: 16 -0.383487969124E+03 -0.81537E-02 -0.49205E-03 316 0.202E-01 0.230E-01
DAV: 17 -0.383499501106E+03 -0.11532E-01 -0.14254E-02 300 0.190E-01 0.194E-01
DAV: 18 -0.383509584785E+03 -0.10084E-01 -0.32121E-03 316 0.150E-01 0.114E-01
DAV: 19 -0.383518451867E+03 -0.88671E-02 -0.13084E-03 292 0.880E-02 0.818E-02
DAV: 20 -0.383524435275E+03 -0.59834E-02 -0.95712E-04 356 0.663E-02 0.338E-02
DAV: 21 -0.383530096794E+03 -0.56615E-02 -0.36707E-04 308 0.439E-02 0.267E-02
DAV: 22 -0.383533272057E+03 -0.31753E-02 -0.12934E-04 316 0.252E-02 0.281E-02
DAV: 23 -0.383535822823E+03 -0.25508E-02 -0.16774E-04 300 0.285E-02 0.161E-02
DAV: 24 -0.383537506320E+03 -0.16835E-02 -0.98809E-05 308 0.197E-02 0.120E-02
DAV: 25 -0.383537830790E+03 -0.32447E-03 -0.19503E-05 252 0.108E-02 0.923E-03
DAV: 26 -0.383538343470E+03 -0.51268E-03 -0.20077E-05 228 0.879E-03 0.539E-03
DAV: 27 -0.383538522523E+03 -0.17905E-03 -0.82706E-06 228 0.614E-03 0.468E-03
DAV: 28 -0.383538618697E+03 -0.96174E-04 -0.44223E-06 228 0.474E-03 0.217E-03
DAV: 29 -0.383538681585E+03 -0.62888E-04 -0.31413E-06 204 0.393E-03 0.171E-03
DAV: 30 -0.383538710187E+03 -0.28601E-04 -0.16497E-06 212 0.334E-03 0.157E-03
DAV: 31 -0.383538724288E+03 -0.14101E-04 -0.14705E-06 228 0.296E-03 0.864E-04
DAV: 32 -0.383538728734E+03 -0.44461E-05 -0.52560E-07 228 0.185E-03
1 F= -.38353873E+03 E0= -.38355236E+03 d E =0.408921E-01