./iterations/neb0_image04_iter19_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 0.151118517095E+04 0.15112E+04 -0.43533E+04 322 0.697E+02
DAV: 2 0.254091151542E+03 -0.12571E+04 -0.11803E+04 428 0.164E+02
DAV: 3 -0.354356018453E+03 -0.60845E+03 -0.60478E+03 348 0.118E+02
DAV: 4 -0.433107431949E+03 -0.78751E+02 -0.78410E+02 316 0.536E+01
DAV: 5 -0.434965024327E+03 -0.18576E+01 -0.18543E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389156144365E+03 0.45809E+02 -0.14850E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385708531337E+03 0.34476E+01 -0.12736E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384307718968E+03 0.14008E+01 -0.32440E+00 340 0.392E+00 0.431E+00
DAV: 9 -0.383733026432E+03 0.57469E+00 -0.68494E-01 332 0.207E+00 0.983E-01
DAV: 10 -0.383675151726E+03 0.57875E-01 -0.16531E-01 348 0.979E-01 0.801E-01
DAV: 11 -0.383658744148E+03 0.16408E-01 -0.95335E-02 340 0.463E-01 0.588E-01
DAV: 12 -0.383631006643E+03 0.27738E-01 -0.20320E-02 308 0.447E-01 0.305E-01
DAV: 13 -0.383618298523E+03 0.12708E-01 -0.28984E-02 308 0.505E-01 0.278E-01
DAV: 14 -0.383625164764E+03 -0.68662E-02 -0.29137E-02 316 0.401E-01 0.220E-01
DAV: 15 -0.383630363766E+03 -0.51990E-02 -0.42519E-03 300 0.239E-01 0.172E-01
DAV: 16 -0.383641425724E+03 -0.11062E-01 -0.39564E-03 308 0.201E-01 0.109E-01
DAV: 17 -0.383652794630E+03 -0.11369E-01 -0.53894E-03 324 0.195E-01 0.982E-02
DAV: 18 -0.383659361439E+03 -0.65668E-02 -0.12842E-03 316 0.947E-02 0.593E-02
DAV: 19 -0.383663548525E+03 -0.41871E-02 -0.40697E-04 316 0.487E-02 0.289E-02
DAV: 20 -0.383669633696E+03 -0.60852E-02 -0.32695E-04 300 0.419E-02 0.189E-02
DAV: 21 -0.383672369153E+03 -0.27355E-02 -0.16798E-04 308 0.283E-02 0.243E-02
DAV: 22 -0.383674016784E+03 -0.16476E-02 -0.83819E-05 276 0.208E-02 0.106E-02
DAV: 23 -0.383674957581E+03 -0.94080E-03 -0.46272E-05 300 0.147E-02 0.513E-03
DAV: 24 -0.383675492900E+03 -0.53532E-03 -0.20080E-05 236 0.110E-02 0.453E-03
DAV: 25 -0.383675717289E+03 -0.22439E-03 -0.79648E-06 236 0.697E-03 0.266E-03
DAV: 26 -0.383675871437E+03 -0.15415E-03 -0.67210E-06 220 0.592E-03 0.224E-03
DAV: 27 -0.383675957271E+03 -0.85834E-04 -0.36707E-06 220 0.436E-03 0.141E-03
DAV: 28 -0.383675985534E+03 -0.28263E-04 -0.17832E-06 228 0.319E-03 0.994E-04
DAV: 29 -0.383676009280E+03 -0.23746E-04 -0.11683E-06 212 0.232E-03 0.632E-04
DAV: 30 -0.383676016217E+03 -0.69363E-05 -0.46045E-07 228 0.132E-03
1 F= -.38367602E+03 E0= -.38368451E+03 d E =0.254746E-01