iterations/neb0_image03_iter10_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 0.161855816880E+04 0.16186E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297620641607E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357377828175E+03 -0.65500E+03 -0.65140E+03 364 0.123E+02
DAV: 4 -0.433425838310E+03 -0.76048E+02 -0.75729E+02 316 0.521E+01
DAV: 5 -0.435164580101E+03 -0.17387E+01 -0.17365E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389094500027E+03 0.46070E+02 -0.15145E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385597659036E+03 0.34968E+01 -0.12366E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384157294136E+03 0.14404E+01 -0.26610E+00 332 0.387E+00 0.432E+00
DAV: 9 -0.383597174258E+03 0.56012E+00 -0.84183E-01 324 0.203E+00 0.119E+00
DAV: 10 -0.383537305067E+03 0.59869E-01 -0.39195E-01 340 0.103E+00 0.814E-01
DAV: 11 -0.383508413460E+03 0.28892E-01 -0.33547E-02 316 0.489E-01 0.684E-01
DAV: 12 -0.383507703924E+03 0.70954E-03 -0.37007E-01 396 0.770E-01 0.107E+00
DAV: 13 -0.383483130585E+03 0.24573E-01 -0.16193E-01 316 0.477E-01 0.849E-01
DAV: 14 -0.383477025279E+03 0.61053E-02 -0.32907E-02 356 0.243E-01 0.440E-01
DAV: 15 -0.383480293540E+03 -0.32683E-02 -0.95250E-03 308 0.257E-01 0.231E-01
DAV: 16 -0.383487994723E+03 -0.77012E-02 -0.56312E-03 316 0.203E-01 0.229E-01
DAV: 17 -0.383499295785E+03 -0.11301E-01 -0.14244E-02 300 0.192E-01 0.201E-01
DAV: 18 -0.383509810720E+03 -0.10515E-01 -0.31088E-03 316 0.152E-01 0.104E-01
DAV: 19 -0.383519219456E+03 -0.94087E-02 -0.13763E-03 292 0.909E-02 0.749E-02
DAV: 20 -0.383524988508E+03 -0.57691E-02 -0.91945E-04 364 0.685E-02 0.383E-02
DAV: 21 -0.383530360479E+03 -0.53720E-02 -0.29399E-04 308 0.384E-02 0.265E-02
DAV: 22 -0.383533742772E+03 -0.33823E-02 -0.14878E-04 316 0.253E-02 0.257E-02
DAV: 23 -0.383536553877E+03 -0.28111E-02 -0.15256E-04 300 0.261E-02 0.202E-02
DAV: 24 -0.383537910132E+03 -0.13563E-02 -0.78482E-05 292 0.179E-02 0.805E-03
DAV: 25 -0.383538375488E+03 -0.46536E-03 -0.28273E-05 260 0.123E-02 0.102E-02
DAV: 26 -0.383538709305E+03 -0.33382E-03 -0.89570E-06 212 0.684E-03 0.627E-03
DAV: 27 -0.383538900253E+03 -0.19095E-03 -0.13617E-05 228 0.739E-03 0.269E-03
DAV: 28 -0.383538978184E+03 -0.77931E-04 -0.28161E-06 236 0.432E-03 0.185E-03
DAV: 29 -0.383539041072E+03 -0.62888E-04 -0.26014E-06 188 0.309E-03 0.246E-03
DAV: 30 -0.383539056300E+03 -0.15227E-04 -0.80322E-07 220 0.188E-03 0.151E-03
DAV: 31 -0.383539075298E+03 -0.18998E-04 -0.10074E-06 204 0.228E-03 0.896E-04
DAV: 32 -0.383539079490E+03 -0.41929E-05 -0.22258E-07 228 0.112E-03
1 F= -.38353908E+03 E0= -.38355231E+03 d E =0.397037E-01