Merge branch 'leadoff'

[physik/posic.git] / logfile

diff --git a/logfile b/logfile
new file mode 100644 (file)
index 0000000..150c159
--- /dev/null
+++ b/logfile
@@ -0,0 +1,125 @@
+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)
+