iterations/neb0_image06_iter2_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 0.162048409213E+04 0.16205E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.301369615431E+03 -0.13191E+04 -0.12410E+04 420 0.168E+02
DAV: 3 -0.357659848694E+03 -0.65903E+03 -0.65431E+03 364 0.123E+02
DAV: 4 -0.433115830843E+03 -0.75456E+02 -0.75180E+02 308 0.529E+01
DAV: 5 -0.434812582766E+03 -0.16968E+01 -0.16943E+01 348 0.812E+00 0.427E+01
DAV: 6 -0.388871270426E+03 0.45941E+02 -0.15053E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385395956571E+03 0.34753E+01 -0.12527E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.383965417599E+03 0.14305E+01 -0.22384E+00 332 0.380E+00 0.427E+00
DAV: 9 -0.383400829227E+03 0.56459E+00 -0.77446E-01 324 0.203E+00 0.101E+00
DAV: 10 -0.383343959485E+03 0.56870E-01 -0.11044E-01 332 0.856E-01 0.806E-01
DAV: 11 -0.383336115721E+03 0.78438E-02 -0.24520E-01 356 0.615E-01 0.109E+00
DAV: 12 -0.383311038368E+03 0.25077E-01 -0.27816E-01 332 0.496E-01 0.464E-01
DAV: 13 -0.383297984836E+03 0.13054E-01 -0.21458E-02 308 0.379E-01 0.234E-01
DAV: 14 -0.383298361724E+03 -0.37689E-03 -0.15070E-02 316 0.337E-01 0.263E-01
DAV: 15 -0.383305158146E+03 -0.67964E-02 -0.98168E-03 316 0.232E-01 0.190E-01
DAV: 16 -0.383313568898E+03 -0.84108E-02 -0.44667E-03 292 0.147E-01 0.933E-02
DAV: 17 -0.383327983297E+03 -0.14414E-01 -0.41470E-03 292 0.141E-01 0.534E-02
DAV: 18 -0.383335766871E+03 -0.77836E-02 -0.12255E-03 324 0.918E-02 0.423E-02
DAV: 19 -0.383344117657E+03 -0.83508E-02 -0.59542E-04 308 0.554E-02 0.377E-02
DAV: 20 -0.383351730075E+03 -0.76124E-02 -0.52699E-04 308 0.441E-02 0.278E-02
DAV: 21 -0.383353701100E+03 -0.19710E-02 -0.10869E-04 340 0.235E-02 0.112E-02
DAV: 22 -0.383355496400E+03 -0.17953E-02 -0.75938E-05 284 0.166E-02 0.967E-03
DAV: 23 -0.383356480646E+03 -0.98425E-03 -0.46770E-05 276 0.121E-02 0.847E-03
DAV: 24 -0.383356869250E+03 -0.38860E-03 -0.13398E-05 228 0.807E-03 0.383E-03
DAV: 25 -0.383357045439E+03 -0.17619E-03 -0.80416E-06 212 0.593E-03 0.253E-03
DAV: 26 -0.383357125858E+03 -0.80419E-04 -0.32897E-06 228 0.432E-03 0.186E-03
DAV: 27 -0.383357213946E+03 -0.88088E-04 -0.34352E-06 212 0.385E-03 0.163E-03
DAV: 28 -0.383357245964E+03 -0.32018E-04 -0.15412E-06 228 0.255E-03 0.104E-03
DAV: 29 -0.383357270728E+03 -0.24764E-04 -0.14168E-06 212 0.288E-03 0.904E-04
DAV: 30 -0.383357278191E+03 -0.74625E-05 -0.44877E-07 228 0.138E-03
1 F= -.38335728E+03 E0= -.38337011E+03 d E =0.385035E-01