./iterations/neb0_image01_iter2_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 0.150953046335E+04 0.15095E+04 -0.43515E+04 322 0.697E+02
DAV: 2 0.252966972894E+03 -0.12566E+04 -0.11788E+04 428 0.164E+02
DAV: 3 -0.355183057558E+03 -0.60815E+03 -0.60432E+03 348 0.118E+02
DAV: 4 -0.433267954052E+03 -0.78085E+02 -0.77760E+02 316 0.534E+01
DAV: 5 -0.435107950338E+03 -0.18400E+01 -0.18370E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389197193678E+03 0.45911E+02 -0.14914E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385745783786E+03 0.34514E+01 -0.12626E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384339040466E+03 0.14067E+01 -0.29428E+00 332 0.385E+00 0.430E+00
DAV: 9 -0.383771516424E+03 0.56752E+00 -0.66840E-01 324 0.198E+00 0.949E-01
DAV: 10 -0.383714024918E+03 0.57492E-01 -0.11078E-01 348 0.880E-01 0.683E-01
DAV: 11 -0.383687327816E+03 0.26697E-01 -0.35841E-02 324 0.493E-01 0.534E-01
DAV: 12 -0.383679647606E+03 0.76802E-02 -0.45309E-02 364 0.329E-01 0.422E-01
DAV: 13 -0.383665162417E+03 0.14485E-01 -0.29810E-02 316 0.405E-01 0.216E-01
DAV: 14 -0.383665999432E+03 -0.83702E-03 -0.11069E-02 308 0.314E-01 0.166E-01
DAV: 15 -0.383678464801E+03 -0.12465E-01 -0.94100E-03 308 0.323E-01 0.127E-01
DAV: 16 -0.383688195605E+03 -0.97308E-02 -0.51541E-03 316 0.224E-01 0.115E-01
DAV: 17 -0.383689724332E+03 -0.15287E-02 -0.12002E-03 340 0.968E-02 0.138E-01
DAV: 18 -0.383689977004E+03 -0.25267E-03 -0.14183E-04 324 0.396E-02 0.128E-01
DAV: 19 -0.383692435542E+03 -0.24585E-02 -0.15095E-03 364 0.121E-01 0.105E-01
DAV: 20 -0.383701841055E+03 -0.94055E-02 -0.18218E-03 300 0.992E-02 0.480E-02
DAV: 21 -0.383708576819E+03 -0.67358E-02 -0.59057E-04 324 0.631E-02 0.332E-02
DAV: 22 -0.383713307434E+03 -0.47306E-02 -0.31362E-04 308 0.449E-02 0.270E-02
DAV: 23 -0.383716471779E+03 -0.31643E-02 -0.17498E-04 340 0.327E-02 0.199E-02
DAV: 24 -0.383719103116E+03 -0.26313E-02 -0.14934E-04 300 0.303E-02 0.116E-02
DAV: 25 -0.383720213734E+03 -0.11106E-02 -0.73681E-05 316 0.192E-02 0.127E-02
DAV: 26 -0.383720630325E+03 -0.41659E-03 -0.13851E-05 252 0.130E-02 0.640E-03
DAV: 27 -0.383721230763E+03 -0.60044E-03 -0.45891E-05 292 0.157E-02 0.807E-03
DAV: 28 -0.383721409996E+03 -0.17923E-03 -0.57825E-06 228 0.943E-03 0.363E-03
DAV: 29 -0.383721585275E+03 -0.17528E-03 -0.16060E-05 228 0.102E-02 0.464E-03
DAV: 30 -0.383721632498E+03 -0.47223E-04 -0.22245E-06 228 0.475E-03 0.291E-03
DAV: 31 -0.383721674748E+03 -0.42251E-04 -0.35539E-06 204 0.547E-03 0.181E-03
DAV: 32 -0.383721707761E+03 -0.33013E-04 -0.11802E-06 220 0.264E-03 0.172E-03
DAV: 33 -0.383721726226E+03 -0.18465E-04 -0.75858E-07 204 0.199E-03 0.152E-03
DAV: 34 -0.383721731544E+03 -0.53178E-05 -0.59246E-07 228 0.269E-03
1 F= -.38372173E+03 E0= -.38373215E+03 d E =0.312682E-01