./iterations/neb0_image04_iter45_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151141980760E+04 0.15114E+04 -0.43535E+04 322 0.697E+02
DAV: 2 0.254533304489E+03 -0.12569E+04 -0.11801E+04 428 0.164E+02
DAV: 3 -0.354210112020E+03 -0.60874E+03 -0.60509E+03 348 0.118E+02
DAV: 4 -0.433117334421E+03 -0.78907E+02 -0.78565E+02 316 0.536E+01
DAV: 5 -0.434978125475E+03 -0.18608E+01 -0.18574E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389172889012E+03 0.45805E+02 -0.14845E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385715781416E+03 0.34571E+01 -0.12616E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384305844577E+03 0.14099E+01 -0.23524E+00 332 0.378E+00 0.423E+00
DAV: 9 -0.383741274079E+03 0.56457E+00 -0.76280E-01 332 0.204E+00 0.116E+00
DAV: 10 -0.383700240299E+03 0.41034E-01 -0.41970E-01 356 0.983E-01 0.771E-01
DAV: 11 -0.383668966066E+03 0.31274E-01 -0.21493E-02 316 0.462E-01 0.684E-01
DAV: 12 -0.383650207830E+03 0.18758E-01 -0.17824E-01 404 0.691E-01 0.885E-01
DAV: 13 -0.383645150057E+03 0.50578E-02 -0.12775E-01 308 0.482E-01 0.108E+00
DAV: 14 -0.383627009012E+03 0.18141E-01 -0.86493E-02 388 0.357E-01 0.300E-01
DAV: 15 -0.383632257819E+03 -0.52488E-02 -0.89351E-03 300 0.245E-01 0.191E-01
DAV: 16 -0.383641738692E+03 -0.94809E-02 -0.45931E-03 300 0.254E-01 0.145E-01
DAV: 17 -0.383652436966E+03 -0.10698E-01 -0.43920E-03 324 0.244E-01 0.101E-01
DAV: 18 -0.383662455142E+03 -0.10018E-01 -0.33446E-03 348 0.207E-01 0.118E-01
DAV: 19 -0.383667202231E+03 -0.47471E-02 -0.22571E-03 356 0.128E-01 0.736E-02
DAV: 20 -0.383667538254E+03 -0.33602E-03 -0.26006E-04 332 0.400E-02 0.745E-02
DAV: 21 -0.383667496381E+03 0.41873E-04 -0.10552E-05 228 0.656E-03 0.745E-02
DAV: 22 -0.383667902181E+03 -0.40580E-03 -0.22441E-04 300 0.278E-02 0.998E-02
DAV: 23 -0.383667759026E+03 0.14315E-03 -0.25496E-04 308 0.548E-02 0.151E-01
DAV: 24 -0.383667999270E+03 -0.24024E-03 -0.11897E-03 332 0.102E-01 0.125E-01
DAV: 25 -0.383669339595E+03 -0.13403E-02 -0.13158E-03 396 0.110E-01 0.860E-02
DAV: 26 -0.383670322154E+03 -0.98256E-03 -0.35868E-04 356 0.103E-01 0.130E-01
DAV: 27 -0.383670307765E+03 0.14389E-04 -0.26558E-04 308 0.431E-02 0.122E-01
DAV: 28 -0.383671103925E+03 -0.79616E-03 -0.25296E-05 244 0.238E-02 0.125E-01
DAV: 29 -0.383673946316E+03 -0.28424E-02 -0.47441E-04 308 0.109E-01 0.214E-01
DAV: 30 -0.383675600459E+03 -0.16541E-02 -0.47964E-03 308 0.139E-01 0.175E-01
DAV: 31 -0.383679947427E+03 -0.43470E-02 -0.66859E-03 380 0.273E-01 0.467E-01
DAV: 32 -0.383678975968E+03 0.97146E-03 -0.15386E-03 316 0.129E-01 0.453E-01
DAV: 33 -0.383678274085E+03 0.70188E-03 -0.43986E-03 300 0.163E-01 0.223E-01
DAV: 34 -0.383681843955E+03 -0.35699E-02 -0.74007E-04 300 0.936E-02 0.290E-01
DAV: 35 -0.383683091356E+03 -0.12474E-02 -0.88025E-03 356 0.311E-01 0.626E-02
DAV: 36 -0.383683628993E+03 -0.53764E-03 -0.47514E-03 340 0.184E-01 0.175E-01
DAV: 37 -0.383683414103E+03 0.21489E-03 -0.38959E-04 364 0.624E-02 0.203E-01
DAV: 38 -0.383683334078E+03 0.80025E-04 -0.78646E-05 324 0.222E-02 0.210E-01
DAV: 39 -0.383683430153E+03 -0.96075E-04 -0.44769E-05 292 0.305E-02 0.197E-01
DAV: 40 -0.383683644640E+03 -0.21449E-03 -0.69048E-05 324 0.260E-02 0.198E-01
DAV: 41 -0.383684043749E+03 -0.39911E-03 -0.63399E-04 388 0.108E-01 0.146E-01
DAV: 42 -0.383684766744E+03 -0.72300E-03 -0.16200E-03 388 0.138E-01 0.924E-02
DAV: 43 -0.383685772694E+03 -0.10060E-02 -0.91182E-04 332 0.102E-01 0.553E-02
DAV: 44 -0.383686887666E+03 -0.11150E-02 -0.96829E-04 428 0.132E-01 0.753E-02
DAV: 45 -0.383687663877E+03 -0.77621E-03 -0.95630E-04 380 0.108E-01 0.113E-01
DAV: 46 -0.383687880267E+03 -0.21639E-03 -0.33636E-04 324 0.498E-02 0.129E-01
DAV: 47 -0.383688124922E+03 -0.24466E-03 -0.59084E-05 300 0.316E-02 0.141E-01
DAV: 48 -0.383688106953E+03 0.17969E-04 -0.32567E-05 316 0.129E-02 0.146E-01
DAV: 49 -0.383688097720E+03 0.92329E-05 -0.98679E-07 180 0.262E-03
1 F= -.38368810E+03 E0= -.38370126E+03 d E =0.394986E-01