iterations/neb0_image06_iter19_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 0.162075358739E+04 0.16208E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.301142057188E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.357975297754E+03 -0.65912E+03 -0.65492E+03 364 0.123E+02
DAV: 4 -0.433249198017E+03 -0.75274E+02 -0.75000E+02 308 0.528E+01
DAV: 5 -0.434938243870E+03 -0.16890E+01 -0.16866E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388923287142E+03 0.46015E+02 -0.15060E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385433597904E+03 0.34897E+01 -0.12560E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.384015190668E+03 0.14184E+01 -0.27154E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383455419564E+03 0.55977E+00 -0.74287E-01 324 0.200E+00 0.122E+00
DAV: 10 -0.383405583176E+03 0.49836E-01 -0.56082E-01 340 0.106E+00 0.777E-01
DAV: 11 -0.383380859437E+03 0.24724E-01 -0.31726E-02 324 0.486E-01 0.611E-01
DAV: 12 -0.383357406815E+03 0.23453E-01 -0.11070E-01 364 0.666E-01 0.749E-01
DAV: 13 -0.383346983848E+03 0.10423E-01 -0.66852E-02 332 0.413E-01 0.373E-01
DAV: 14 -0.383346390213E+03 0.59364E-03 -0.12188E-02 300 0.245E-01 0.325E-01
DAV: 15 -0.383350861523E+03 -0.44713E-02 -0.80632E-03 308 0.226E-01 0.165E-01
DAV: 16 -0.383363127244E+03 -0.12266E-01 -0.77418E-03 316 0.243E-01 0.128E-01
DAV: 17 -0.383374327202E+03 -0.11200E-01 -0.25161E-03 324 0.143E-01 0.117E-01
DAV: 18 -0.383381201168E+03 -0.68740E-02 -0.62262E-04 300 0.763E-02 0.987E-02
DAV: 19 -0.383388283912E+03 -0.70827E-02 -0.16091E-03 300 0.937E-02 0.112E-01
DAV: 20 -0.383391884021E+03 -0.36001E-02 -0.49026E-04 308 0.581E-02 0.529E-02
DAV: 21 -0.383396352502E+03 -0.44685E-02 -0.26198E-04 300 0.409E-02 0.198E-02
DAV: 22 -0.383400638390E+03 -0.42859E-02 -0.27757E-04 308 0.312E-02 0.229E-02
DAV: 23 -0.383402228855E+03 -0.15905E-02 -0.69185E-05 308 0.182E-02 0.110E-02
DAV: 24 -0.383403192076E+03 -0.96322E-03 -0.38965E-05 284 0.127E-02 0.728E-03
DAV: 25 -0.383403850608E+03 -0.65853E-03 -0.26395E-05 252 0.903E-03 0.705E-03
DAV: 26 -0.383404107605E+03 -0.25700E-03 -0.93711E-06 228 0.564E-03 0.264E-03
DAV: 27 -0.383404207006E+03 -0.99401E-04 -0.39001E-06 228 0.380E-03 0.127E-03
DAV: 28 -0.383404285436E+03 -0.78430E-04 -0.30147E-06 220 0.302E-03 0.131E-03
DAV: 29 -0.383404305537E+03 -0.20101E-04 -0.10785E-06 228 0.189E-03 0.892E-04
DAV: 30 -0.383404325905E+03 -0.20368E-04 -0.93142E-07 212 0.159E-03 0.760E-04
DAV: 31 -0.383404331987E+03 -0.60824E-05 -0.32368E-07 228 0.113E-03
1 F= -.38340433E+03 E0= -.38341764E+03 d E =0.399325E-01