it's never too late to start a logfile ... ####### 05.06.2009: ----------- local: c_in_si_mig_01 migratin of defects tests 06.05.2009: ----------- local: si_0k, si_20, si_1250, si_2050 c_0k, c_20, c_1250, c_2050 sic_0k, sic_20, sic_1250, sic_2050 fully relaxed si, c or sic at given temperature, using albe pot ... _tersoff same, using tersoff pot ... _check same, without tp-ctrl, to check conservation of energy (both, tersoff an albe) 04.05.2009: ----------- local: c_in_si_prec_01 3x3 lattice si, insertion of same amount of carbon at 2050 celsius, relax 1 ns 06.04.2009: ----------- ./posic_2009_02/saves/c_in_si_prec_10 <- 2050 ./posic_2009_02/saves/c_in_si_prec_11 <- 1650 ./posic_2009_02/saves/c_in_si_prec_12 <- 1250 like 07, 08, 09 but using tersoff = tersoff + total volume ./posic_2009_02/saves/c_in_si_prec_12_cnt0k continued, cooling down to 0k ./posic_2009_02/saves/c_in_si_prec_07_cnt0k ./posic_2009_02/saves/c_in_si_prec_09_cnt0k continued (from 23.02.09), cooling down to 0K 23.02.2009: ----------- ./posic_2009_02/saves/c_in_si_prec_2050_01 ./posic_2009_02/saves/c_in_si_prec_2050_02 WARNING: bullshit notation! see below ./posic_2009_02/saves/c_in_si_prec_2050_03 c in sphere of r = 2.5 nm at 01 = 2050 02 = 1650 03 = 1250 celsius local: sic_prec_08-tup1250 / 1650 / 2050 sic prec at 1250 / 1650 / 2050 celsius ./posic_2009_02/saves/c_in_si_prec_04 ./posic_2009_02/saves/c_in_si_prec_05 ./posic_2009_02/saves/c_in_si_prec_06 like first three, using tersoff <- TODO ./posic_2009_02/saves/c_in_si_prec_07 <- 2050 ./posic_2009_02/saves/c_in_si_prec_08 <- 1650 ./posic_2009_02/saves/c_in_si_prec_09 <- 1250 like first three (albe!) into total volume TODO: - kleine si mit genausoviel c ins - c in groesseres gebiet (tot oder so?) - c in grosses gebiet + 'mehr' c 19.02.2009: ----------- local: sic_prec_08* - sic in si, free run for 2ps, tctrl to 23 celsius - more tctrl and annealing 09.02.2009: ----------- ./posic_2009_01/saves/c_in_si_prec_1650-2150_v2_04 tersoff instead of albe, cr = 1.5 angstrom, insertion into sphere r=2.5 06.02.2009: ----------- adapted parcas albe sic parameters, dcut of si-1 unmodified! 13.01.2009: ----------- ./posic_2009_01/saves/c_in_si_prec_1650-2150_v2_03 as 02, but cr of Si-C increased to 1.9 12.01.2009: ----------- ./posic_2009_01/saves/c_in_si_prec_1650-2150_v2_02 as 01, but: c insertion cr check for another c atom increased to 2.7 angstrom 08.01.2009: ----------- INS_SPHERE implemented ./posic_2009_01/saves/c_in_si_prec_1650-2150_v2_01 316 x 10 C -> Si, v2: sphere r=2.5 nm, t=1650(+500)