iterations/neb0_image04_iter27_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 0.161884809408E+04 0.16188E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.297994208383E+03 -0.13209E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354109511412E+03 -0.65210E+03 -0.64852E+03 356 0.123E+02
DAV: 4 -0.433249698326E+03 -0.79140E+02 -0.78799E+02 316 0.540E+01
DAV: 5 -0.435093922956E+03 -0.18442E+01 -0.18420E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389062149653E+03 0.46032E+02 -0.15048E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385568870537E+03 0.34933E+01 -0.12535E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384139547234E+03 0.14293E+01 -0.25946E+00 332 0.387E+00 0.432E+00
DAV: 9 -0.383578803440E+03 0.56074E+00 -0.82044E-01 324 0.203E+00 0.120E+00
DAV: 10 -0.383523178444E+03 0.55625E-01 -0.43944E-01 340 0.104E+00 0.795E-01
DAV: 11 -0.383495825997E+03 0.27352E-01 -0.32215E-02 324 0.485E-01 0.674E-01
DAV: 12 -0.383482483347E+03 0.13343E-01 -0.22479E-01 388 0.762E-01 0.909E-01
DAV: 13 -0.383463575142E+03 0.18908E-01 -0.89979E-02 316 0.433E-01 0.548E-01
DAV: 14 -0.383464184190E+03 -0.60905E-03 -0.21234E-02 348 0.221E-01 0.409E-01
DAV: 15 -0.383465906174E+03 -0.17220E-02 -0.71280E-03 300 0.223E-01 0.258E-01
DAV: 16 -0.383478431529E+03 -0.12525E-01 -0.13922E-02 308 0.277E-01 0.218E-01
DAV: 17 -0.383488982140E+03 -0.10551E-01 -0.37676E-03 308 0.200E-01 0.104E-01
DAV: 18 -0.383496783045E+03 -0.78009E-02 -0.29351E-03 308 0.116E-01 0.141E-01
DAV: 19 -0.383505088769E+03 -0.83057E-02 -0.17352E-03 300 0.767E-02 0.135E-01
DAV: 20 -0.383510314731E+03 -0.52260E-02 -0.61363E-04 316 0.622E-02 0.468E-02
DAV: 21 -0.383514540640E+03 -0.42259E-02 -0.43911E-04 316 0.503E-02 0.263E-02
DAV: 22 -0.383518581171E+03 -0.40405E-02 -0.23515E-04 316 0.341E-02 0.304E-02
DAV: 23 -0.383520334490E+03 -0.17533E-02 -0.78023E-05 292 0.189E-02 0.130E-02
DAV: 24 -0.383522485553E+03 -0.21511E-02 -0.13197E-04 292 0.204E-02 0.879E-03
DAV: 25 -0.383522923575E+03 -0.43802E-03 -0.13272E-05 228 0.781E-03 0.501E-03
DAV: 26 -0.383523489412E+03 -0.56584E-03 -0.34618E-05 252 0.102E-02 0.623E-03
DAV: 27 -0.383523617169E+03 -0.12776E-03 -0.58554E-06 228 0.540E-03 0.259E-03
DAV: 28 -0.383523702038E+03 -0.84869E-04 -0.53520E-06 204 0.520E-03 0.217E-03
DAV: 29 -0.383523739416E+03 -0.37377E-04 -0.11535E-06 228 0.279E-03 0.172E-03
DAV: 30 -0.383523784722E+03 -0.45306E-04 -0.16896E-06 196 0.253E-03 0.864E-04
DAV: 31 -0.383523800782E+03 -0.16060E-04 -0.70171E-07 220 0.153E-03 0.769E-04
DAV: 32 -0.383523807406E+03 -0.66241E-05 -0.27444E-07 228 0.968E-04
1 F= -.38352381E+03 E0= -.38353709E+03 d E =0.398461E-01