./neb0_image04_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151140993830E+04 0.15114E+04 -0.43535E+04 322 0.697E+02
DAV: 2 0.254531182304E+03 -0.12569E+04 -0.11801E+04 428 0.164E+02
DAV: 3 -0.354208410007E+03 -0.60874E+03 -0.60508E+03 348 0.118E+02
DAV: 4 -0.433116425256E+03 -0.78908E+02 -0.78565E+02 316 0.536E+01
DAV: 5 -0.434977165155E+03 -0.18607E+01 -0.18574E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389173563005E+03 0.45804E+02 -0.14845E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385714681659E+03 0.34589E+01 -0.12592E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384289402353E+03 0.14253E+01 -0.19044E+00 332 0.373E+00 0.419E+00
DAV: 9 -0.383763836712E+03 0.52557E+00 -0.10610E+00 332 0.204E+00 0.117E+00
DAV: 10 -0.383691831181E+03 0.72006E-01 -0.13951E-01 348 0.905E-01 0.819E-01
DAV: 11 -0.383667263781E+03 0.24567E-01 -0.12182E-01 324 0.545E-01 0.804E-01
DAV: 12 -0.383647855847E+03 0.19408E-01 -0.10907E-01 324 0.380E-01 0.446E-01
DAV: 13 -0.383630720733E+03 0.17135E-01 -0.21262E-02 316 0.469E-01 0.362E-01
DAV: 14 -0.383631436807E+03 -0.71607E-03 -0.47995E-02 332 0.414E-01 0.468E-01
DAV: 15 -0.383634186992E+03 -0.27502E-02 -0.75550E-02 292 0.312E-01 0.391E-01
DAV: 16 -0.383639456468E+03 -0.52695E-02 -0.14660E-02 316 0.252E-01 0.116E-01
DAV: 17 -0.383649659768E+03 -0.10203E-01 -0.52650E-03 340 0.278E-01 0.168E-01
DAV: 18 -0.383652648149E+03 -0.29884E-02 -0.32605E-03 332 0.169E-01 0.105E-01
DAV: 19 -0.383655741767E+03 -0.30936E-02 -0.53672E-04 420 0.105E-01 0.908E-02
DAV: 20 -0.383665307448E+03 -0.95657E-02 -0.16848E-03 324 0.206E-01 0.217E-01
DAV: 21 -0.383664335217E+03 0.97223E-03 -0.29020E-03 316 0.941E-02 0.107E-01
DAV: 22 -0.383667120374E+03 -0.27852E-02 -0.15654E-03 316 0.842E-02 0.702E-02
DAV: 23 -0.383672218148E+03 -0.50978E-02 -0.60804E-04 340 0.110E-01 0.700E-02
DAV: 24 -0.383673644240E+03 -0.14261E-02 -0.26079E-04 324 0.362E-02 0.462E-02
DAV: 25 -0.383677106501E+03 -0.34623E-02 -0.92369E-04 300 0.549E-02 0.274E-02
DAV: 26 -0.383678445521E+03 -0.13390E-02 -0.19918E-04 316 0.318E-02 0.272E-02
DAV: 27 -0.383678764249E+03 -0.31873E-03 -0.23760E-05 260 0.119E-02 0.211E-02
DAV: 28 -0.383679574803E+03 -0.81055E-03 -0.61667E-05 292 0.158E-02 0.113E-02
DAV: 29 -0.383680068716E+03 -0.49391E-03 -0.27692E-05 244 0.112E-02 0.543E-03
DAV: 30 -0.383680252365E+03 -0.18365E-03 -0.13309E-05 228 0.752E-03 0.517E-03
DAV: 31 -0.383680376993E+03 -0.12463E-03 -0.75542E-06 228 0.565E-03 0.706E-03
DAV: 32 -0.383680431028E+03 -0.54035E-04 -0.20436E-06 228 0.312E-03 0.567E-03
DAV: 33 -0.383680467815E+03 -0.36787E-04 -0.28318E-06 220 0.368E-03 0.258E-03
DAV: 34 -0.383680477927E+03 -0.10111E-04 -0.99345E-07 236 0.243E-03 0.217E-03
DAV: 35 -0.383680484477E+03 -0.65507E-05 -0.32853E-07 228 0.134E-03
1 F= -.38368048E+03 E0= -.38370223E+03 d E =0.652339E-01