./iterations/neb0_image01_iter38_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 0.150951967339E+04 0.15095E+04 -0.43515E+04 322 0.697E+02
DAV: 2 0.252924320625E+03 -0.12566E+04 -0.11788E+04 428 0.164E+02
DAV: 3 -0.355171422885E+03 -0.60810E+03 -0.60425E+03 348 0.118E+02
DAV: 4 -0.433271991332E+03 -0.78101E+02 -0.77776E+02 316 0.535E+01
DAV: 5 -0.435112994242E+03 -0.18410E+01 -0.18380E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389198803391E+03 0.45914E+02 -0.14917E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385745749359E+03 0.34531E+01 -0.12559E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.384341934466E+03 0.14038E+01 -0.29680E+00 332 0.382E+00 0.429E+00
DAV: 9 -0.383768619663E+03 0.57331E+00 -0.67040E-01 316 0.200E+00 0.932E-01
DAV: 10 -0.383717868835E+03 0.50751E-01 -0.14491E-01 348 0.871E-01 0.846E-01
DAV: 11 -0.383704511584E+03 0.13357E-01 -0.11503E-01 348 0.428E-01 0.629E-01
DAV: 12 -0.383678404197E+03 0.26107E-01 -0.17549E-02 316 0.392E-01 0.384E-01
DAV: 13 -0.383660870470E+03 0.17534E-01 -0.31718E-02 324 0.520E-01 0.298E-01
DAV: 14 -0.383665449592E+03 -0.45791E-02 -0.41953E-02 324 0.402E-01 0.448E-01
DAV: 15 -0.383667193030E+03 -0.17434E-02 -0.45733E-03 292 0.193E-01 0.210E-01
DAV: 16 -0.383676588753E+03 -0.93957E-02 -0.45309E-03 292 0.203E-01 0.308E-01
DAV: 17 -0.383687559396E+03 -0.10971E-01 -0.46281E-03 308 0.192E-01 0.108E-01
DAV: 18 -0.383695679107E+03 -0.81197E-02 -0.19446E-03 324 0.136E-01 0.824E-02
DAV: 19 -0.383701636086E+03 -0.59570E-02 -0.50736E-04 316 0.599E-02 0.621E-02
DAV: 20 -0.383709751476E+03 -0.81154E-02 -0.79700E-04 308 0.706E-02 0.815E-02
DAV: 21 -0.383713285166E+03 -0.35337E-02 -0.36622E-04 332 0.535E-02 0.473E-02
DAV: 22 -0.383714238232E+03 -0.95307E-03 -0.13383E-04 332 0.329E-02 0.257E-02
DAV: 23 -0.383714419686E+03 -0.18145E-03 -0.13818E-05 268 0.109E-02 0.259E-02
DAV: 24 -0.383714416222E+03 0.34633E-05 -0.20682E-06 228 0.359E-03
1 F= -.38371442E+03 E0= -.38373004E+03 d E =0.468752E-01