./neb0_image05_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 0.151237223144E+04 0.15124E+04 -0.43540E+04 322 0.697E+02
DAV: 2 0.253810954098E+03 -0.12586E+04 -0.11816E+04 428 0.164E+02
DAV: 3 -0.354393988242E+03 -0.60820E+03 -0.60451E+03 348 0.118E+02
DAV: 4 -0.433038293448E+03 -0.78644E+02 -0.78308E+02 308 0.535E+01
DAV: 5 -0.434907306549E+03 -0.18690E+01 -0.18655E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389135522169E+03 0.45772E+02 -0.14818E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385663161428E+03 0.34724E+01 -0.12532E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384236308239E+03 0.14269E+01 -0.18847E+00 332 0.374E+00 0.420E+00
DAV: 9 -0.383694474025E+03 0.54183E+00 -0.10706E+00 332 0.216E+00 0.103E+00
DAV: 10 -0.383644895996E+03 0.49578E-01 -0.13989E-01 348 0.912E-01 0.912E-01
DAV: 11 -0.383629054360E+03 0.15842E-01 -0.17185E-01 340 0.534E-01 0.728E-01
DAV: 12 -0.383600853271E+03 0.28201E-01 -0.58381E-02 364 0.557E-01 0.577E-01
DAV: 13 -0.383586433035E+03 0.14420E-01 -0.59496E-02 356 0.489E-01 0.471E-01
DAV: 14 -0.383578302660E+03 0.81304E-02 -0.68369E-02 308 0.556E-01 0.420E-01
DAV: 15 -0.383581442649E+03 -0.31400E-02 -0.26437E-02 308 0.338E-01 0.291E-01
DAV: 16 -0.383588065589E+03 -0.66229E-02 -0.61876E-03 292 0.193E-01 0.161E-01
DAV: 17 -0.383596314821E+03 -0.82492E-02 -0.37346E-03 292 0.176E-01 0.111E-01
DAV: 18 -0.383607274801E+03 -0.10960E-01 -0.30144E-03 316 0.151E-01 0.149E-01
DAV: 19 -0.383616460704E+03 -0.91859E-02 -0.41064E-03 340 0.158E-01 0.896E-02
DAV: 20 -0.383621257727E+03 -0.47970E-02 -0.12505E-03 324 0.975E-02 0.955E-02
DAV: 21 -0.383623352430E+03 -0.20947E-02 -0.18641E-04 324 0.405E-02 0.613E-02
DAV: 22 -0.383627734022E+03 -0.43816E-02 -0.56811E-04 316 0.553E-02 0.221E-02
DAV: 23 -0.383629473178E+03 -0.17392E-02 -0.14225E-04 340 0.333E-02 0.175E-02
DAV: 24 -0.383630646314E+03 -0.11731E-02 -0.61812E-05 276 0.232E-02 0.182E-02
DAV: 25 -0.383631906519E+03 -0.12602E-02 -0.81225E-05 300 0.315E-02 0.134E-02
DAV: 26 -0.383632191385E+03 -0.28487E-03 -0.60786E-05 332 0.221E-02 0.953E-03
DAV: 27 -0.383632278876E+03 -0.87491E-04 -0.66735E-06 236 0.992E-03 0.939E-03
DAV: 28 -0.383632244983E+03 0.33893E-04 -0.26454E-06 204 0.535E-03 0.106E-02
DAV: 29 -0.383632112935E+03 0.13205E-03 -0.12795E-05 236 0.203E-02 0.115E-02
DAV: 30 -0.383632032684E+03 0.80251E-04 -0.64659E-05 364 0.328E-02 0.114E-02
DAV: 31 -0.383632027819E+03 0.48657E-05 -0.43384E-05 316 0.155E-02
1 F= -.38363203E+03 E0= -.38364660E+03 d E =0.437147E-01