iterations/neb0_image06_iter23_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 0.162052134193E+04 0.16205E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.300943215165E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.358043759103E+03 -0.65899E+03 -0.65493E+03 364 0.123E+02
DAV: 4 -0.433244276565E+03 -0.75201E+02 -0.74927E+02 308 0.528E+01
DAV: 5 -0.434931536064E+03 -0.16873E+01 -0.16849E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388927673645E+03 0.46004E+02 -0.15055E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385439947623E+03 0.34877E+01 -0.12583E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.384022681761E+03 0.14173E+01 -0.27387E+00 332 0.392E+00 0.433E+00
DAV: 9 -0.383450733640E+03 0.57195E+00 -0.61526E-01 332 0.196E+00 0.985E-01
DAV: 10 -0.383393736269E+03 0.56997E-01 -0.13899E-01 324 0.955E-01 0.798E-01
DAV: 11 -0.383380213421E+03 0.13523E-01 -0.64509E-02 316 0.439E-01 0.750E-01
DAV: 12 -0.383365686537E+03 0.14527E-01 -0.12491E-01 324 0.393E-01 0.518E-01
DAV: 13 -0.383353787728E+03 0.11899E-01 -0.52305E-02 308 0.394E-01 0.456E-01
DAV: 14 -0.383353004015E+03 0.78371E-03 -0.41288E-02 372 0.255E-01 0.271E-01
DAV: 15 -0.383354779067E+03 -0.17751E-02 -0.12227E-02 292 0.255E-01 0.168E-01
DAV: 16 -0.383367183608E+03 -0.12405E-01 -0.68558E-03 316 0.227E-01 0.141E-01
DAV: 17 -0.383379431925E+03 -0.12248E-01 -0.46109E-03 276 0.206E-01 0.133E-01
DAV: 18 -0.383388368450E+03 -0.89365E-02 -0.25672E-03 308 0.132E-01 0.992E-02
DAV: 19 -0.383392149436E+03 -0.37810E-02 -0.41785E-04 340 0.543E-02 0.739E-02
DAV: 20 -0.383396197934E+03 -0.40485E-02 -0.48576E-04 300 0.488E-02 0.334E-02
DAV: 21 -0.383403056272E+03 -0.68583E-02 -0.44275E-04 308 0.468E-02 0.253E-02
DAV: 22 -0.383406015218E+03 -0.29589E-02 -0.15276E-04 316 0.291E-02 0.294E-02
DAV: 23 -0.383408504713E+03 -0.24895E-02 -0.19215E-04 316 0.343E-02 0.104E-02
DAV: 24 -0.383409547366E+03 -0.10427E-02 -0.71560E-05 316 0.213E-02 0.887E-03
DAV: 25 -0.383409792239E+03 -0.24487E-03 -0.95551E-06 252 0.886E-03 0.584E-03
DAV: 26 -0.383410163822E+03 -0.37158E-03 -0.13144E-05 212 0.950E-03 0.589E-03
DAV: 27 -0.383410394511E+03 -0.23069E-03 -0.17334E-05 244 0.109E-02 0.260E-03
DAV: 28 -0.383410484299E+03 -0.89788E-04 -0.90295E-06 236 0.869E-03 0.278E-03
DAV: 29 -0.383410509892E+03 -0.25592E-04 -0.23551E-06 228 0.463E-03 0.229E-03
DAV: 30 -0.383410541389E+03 -0.31497E-04 -0.18873E-06 212 0.460E-03 0.131E-03
DAV: 31 -0.383410560074E+03 -0.18685E-04 -0.30011E-06 220 0.529E-03 0.148E-03
DAV: 32 -0.383410564347E+03 -0.42731E-05 -0.12872E-06 228 0.299E-03
1 F= -.38341056E+03 E0= -.38342404E+03 d E =0.404363E-01