./iterations/neb0_image01_iter8_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 0.150964208702E+04 0.15096E+04 -0.43516E+04 322 0.697E+02
DAV: 2 0.252987060150E+03 -0.12567E+04 -0.11789E+04 428 0.164E+02
DAV: 3 -0.355189158631E+03 -0.60818E+03 -0.60432E+03 348 0.118E+02
DAV: 4 -0.433275027506E+03 -0.78086E+02 -0.77761E+02 316 0.535E+01
DAV: 5 -0.435114532338E+03 -0.18395E+01 -0.18365E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389198696971E+03 0.45916E+02 -0.14917E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385737245435E+03 0.34615E+01 -0.12487E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.384306652809E+03 0.14306E+01 -0.18285E+00 332 0.369E+00 0.419E+00
DAV: 9 -0.383766407809E+03 0.54025E+00 -0.76518E-01 324 0.189E+00 0.137E+00
DAV: 10 -0.383730823458E+03 0.35584E-01 -0.68406E-01 364 0.930E-01 0.851E-01
DAV: 11 -0.383702783128E+03 0.28040E-01 -0.96439E-02 348 0.577E-01 0.725E-01
DAV: 12 -0.383685955590E+03 0.16828E-01 -0.78872E-02 340 0.372E-01 0.500E-01
DAV: 13 -0.383663650860E+03 0.22305E-01 -0.23170E-02 316 0.486E-01 0.239E-01
DAV: 14 -0.383662953721E+03 0.69714E-03 -0.18392E-02 332 0.384E-01 0.200E-01
DAV: 15 -0.383669048733E+03 -0.60950E-02 -0.47421E-03 308 0.207E-01 0.180E-01
DAV: 16 -0.383679700756E+03 -0.10652E-01 -0.67849E-03 316 0.321E-01 0.937E-02
DAV: 17 -0.383692500774E+03 -0.12800E-01 -0.21067E-02 316 0.278E-01 0.508E-01
DAV: 18 -0.383689366655E+03 0.31341E-02 -0.62533E-03 332 0.133E-01 0.174E-01
DAV: 19 -0.383695306311E+03 -0.59397E-02 -0.48370E-04 292 0.597E-02 0.205E-01
DAV: 20 -0.383701995612E+03 -0.66893E-02 -0.88335E-04 340 0.651E-02 0.686E-02
DAV: 21 -0.383708124832E+03 -0.61292E-02 -0.43610E-04 308 0.557E-02 0.358E-02
DAV: 22 -0.383710671251E+03 -0.25464E-02 -0.15885E-04 332 0.308E-02 0.226E-02
DAV: 23 -0.383712129847E+03 -0.14586E-02 -0.53493E-05 292 0.178E-02 0.224E-02
DAV: 24 -0.383713348170E+03 -0.12183E-02 -0.41296E-05 284 0.139E-02 0.831E-03
DAV: 25 -0.383714322950E+03 -0.97478E-03 -0.44446E-05 292 0.140E-02 0.122E-02
DAV: 26 -0.383714756086E+03 -0.43314E-03 -0.19704E-05 252 0.892E-03 0.117E-02
DAV: 27 -0.383714871549E+03 -0.11546E-03 -0.38555E-06 236 0.526E-03 0.604E-03
DAV: 28 -0.383714968967E+03 -0.97418E-04 -0.45514E-06 220 0.475E-03 0.222E-03
DAV: 29 -0.383714991394E+03 -0.22428E-04 -0.12984E-06 236 0.290E-03 0.263E-03
DAV: 30 -0.383715040258E+03 -0.48864E-04 -0.16163E-06 204 0.246E-03 0.163E-03
DAV: 31 -0.383715053085E+03 -0.12827E-04 -0.56017E-07 228 0.147E-03 0.676E-04
DAV: 32 -0.383715064598E+03 -0.11513E-04 -0.43272E-07 220 0.157E-03 0.803E-04
DAV: 33 -0.383715072049E+03 -0.74505E-05 -0.25529E-07 212 0.104E-03
1 F= -.38371507E+03 E0= -.38372816E+03 d E =0.392576E-01