iterations/neb0_image03_iter3_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 0.161844760402E+04 0.16184E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.297552190006E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357374154682E+03 -0.65493E+03 -0.65131E+03 364 0.123E+02
DAV: 4 -0.433417181729E+03 -0.76043E+02 -0.75724E+02 316 0.521E+01
DAV: 5 -0.435155507253E+03 -0.17383E+01 -0.17361E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389092501386E+03 0.46063E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385598276171E+03 0.34942E+01 -0.12384E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384160164254E+03 0.14381E+01 -0.27634E+00 332 0.389E+00 0.432E+00
DAV: 9 -0.383579687822E+03 0.58048E+00 -0.62657E-01 324 0.197E+00 0.990E-01
DAV: 10 -0.383519901100E+03 0.59787E-01 -0.14603E-01 340 0.972E-01 0.800E-01
DAV: 11 -0.383507132624E+03 0.12768E-01 -0.81032E-02 316 0.442E-01 0.795E-01
DAV: 12 -0.383492830261E+03 0.14302E-01 -0.14475E-01 316 0.404E-01 0.584E-01
DAV: 13 -0.383481195945E+03 0.11634E-01 -0.10187E-01 316 0.446E-01 0.654E-01
DAV: 14 -0.383476338372E+03 0.48576E-02 -0.55340E-02 364 0.253E-01 0.233E-01
DAV: 15 -0.383478538125E+03 -0.21998E-02 -0.10680E-02 300 0.273E-01 0.216E-01
DAV: 16 -0.383486669033E+03 -0.81309E-02 -0.74783E-03 316 0.206E-01 0.205E-01
DAV: 17 -0.383495577627E+03 -0.89086E-02 -0.37515E-03 284 0.164E-01 0.113E-01
DAV: 18 -0.383508233705E+03 -0.12656E-01 -0.42346E-03 308 0.173E-01 0.134E-01
DAV: 19 -0.383514947625E+03 -0.67139E-02 -0.13204E-03 324 0.904E-02 0.825E-02
DAV: 20 -0.383518232731E+03 -0.32851E-02 -0.41460E-04 356 0.491E-02 0.509E-02
DAV: 21 -0.383525321272E+03 -0.70885E-02 -0.78863E-04 300 0.571E-02 0.294E-02
DAV: 22 -0.383528480689E+03 -0.31594E-02 -0.14657E-04 316 0.292E-02 0.281E-02
DAV: 23 -0.383530809255E+03 -0.23286E-02 -0.97100E-05 300 0.217E-02 0.180E-02
DAV: 24 -0.383533539572E+03 -0.27303E-02 -0.15273E-04 300 0.226E-02 0.106E-02
DAV: 25 -0.383534591076E+03 -0.10515E-02 -0.47940E-05 284 0.141E-02 0.720E-03
DAV: 26 -0.383535113826E+03 -0.52275E-03 -0.22408E-05 236 0.969E-03 0.806E-03
DAV: 27 -0.383535336233E+03 -0.22241E-03 -0.97887E-06 228 0.560E-03 0.252E-03
DAV: 28 -0.383535430828E+03 -0.94595E-04 -0.32713E-06 236 0.360E-03 0.144E-03
DAV: 29 -0.383535498903E+03 -0.68076E-04 -0.22898E-06 212 0.260E-03 0.130E-03
DAV: 30 -0.383535536730E+03 -0.37826E-04 -0.14630E-06 228 0.213E-03 0.731E-04
DAV: 31 -0.383535558938E+03 -0.22209E-04 -0.10218E-06 212 0.164E-03 0.562E-04
DAV: 32 -0.383535564090E+03 -0.51514E-05 -0.33570E-07 228 0.117E-03
1 F= -.38353556E+03 E0= -.38355276E+03 d E =0.515896E-01