Skip to content

Commit

Permalink
fixes
Browse files Browse the repository at this point in the history
  • Loading branch information
Laura Bellentani committed Mar 11, 2024
1 parent 74b6258 commit 3aabdd1
Show file tree
Hide file tree
Showing 7 changed files with 724 additions and 242 deletions.
150 changes: 75 additions & 75 deletions day2/exercise_ph/solution/step5/harmdyn_support
View file
Original file line number Diff line number Diff line change
Expand Up @@ -125,93 +125,93 @@ Basis vectors

**************************************************************************
freq ( 1) = -0.154653 [THz] = -5.158658 [cm-1]
( 0.483805 0.000000 -0.018229 0.000000 0.000062 0.000000 )
( 0.455651 0.000000 -0.017168 0.000000 0.000058 0.000000 )
( 0.440872 0.000000 -0.016041 0.000000 0.000054 0.000000 )
( 0.425752 0.000000 -0.016041 0.000000 0.000056 0.000000 )
( 0.425752 0.000000 -0.016611 0.000000 0.000054 0.000000 )
( 0.013305 0.000000 0.026597 0.000000 -0.483234 0.000000 )
( 0.012531 0.000000 0.025049 0.000000 -0.455114 0.000000 )
( 0.012125 0.000000 0.023406 0.000000 -0.425249 0.000000 )
( 0.011709 0.000000 0.023406 0.000000 -0.440351 0.000000 )
( 0.011709 0.000000 0.024237 0.000000 -0.425249 0.000000 )
freq ( 2) = -0.154653 [THz] = -5.158658 [cm-1]
( -0.010319 0.000000 -0.272527 0.000000 0.400028 0.000000 )
( -0.009718 0.000000 -0.256668 0.000000 0.376749 0.000000 )
( -0.009403 0.000000 -0.239826 0.000000 0.352027 0.000000 )
( -0.009081 0.000000 -0.239826 0.000000 0.364529 0.000000 )
( -0.009081 0.000000 -0.248343 0.000000 0.352027 0.000000 )
( -0.468163 0.000000 0.123231 0.000000 -0.006108 0.000000 )
( -0.440919 0.000000 0.116060 0.000000 -0.005752 0.000000 )
( -0.426617 0.000000 0.108445 0.000000 -0.005375 0.000000 )
( -0.411986 0.000000 0.108445 0.000000 -0.005566 0.000000 )
( -0.411986 0.000000 0.112296 0.000000 -0.005375 0.000000 )
freq ( 3) = -0.154653 [THz] = -5.158658 [cm-1]
( -0.015027 0.000000 -0.399746 0.000000 -0.272722 0.000000 )
( -0.014152 0.000000 -0.376483 0.000000 -0.256852 0.000000 )
( -0.013693 0.000000 -0.351779 0.000000 -0.239997 0.000000 )
( -0.013224 0.000000 -0.351779 0.000000 -0.248520 0.000000 )
( -0.013224 0.000000 -0.364272 0.000000 -0.239997 0.000000 )
( -0.122663 0.000000 -0.467447 0.000000 -0.029106 0.000000 )
( -0.115525 0.000000 -0.440245 0.000000 -0.027412 0.000000 )
( -0.111778 0.000000 -0.411356 0.000000 -0.025613 0.000000 )
( -0.107944 0.000000 -0.411356 0.000000 -0.026523 0.000000 )
( -0.107944 0.000000 -0.425965 0.000000 -0.025613 0.000000 )
freq ( 4) = 0.242573 [THz] = 8.091352 [cm-1]
( -0.002103 0.000000 0.006317 0.000000 0.850769 0.000000 )
( 0.000381 0.000000 -0.001143 0.000000 -0.153960 0.000000 )
( 0.000491 0.000000 -0.002423 0.000000 -0.326301 0.000000 )
( 0.000807 0.000000 -0.002423 0.000000 -0.198702 0.000000 )
( 0.000807 0.000000 -0.001475 0.000000 -0.326301 0.000000 )
( -0.155331 0.000000 0.001223 0.000000 0.836495 0.000000 )
( 0.028109 0.000000 -0.000221 0.000000 -0.151376 0.000000 )
( 0.036278 0.000000 -0.000469 0.000000 -0.320826 0.000000 )
( 0.059575 0.000000 -0.000469 0.000000 -0.195368 0.000000 )
( 0.059575 0.000000 -0.000286 0.000000 -0.320826 0.000000 )
freq ( 5) = 0.242573 [THz] = 8.091352 [cm-1]
( 0.821654 -0.000000 0.220766 -0.000000 0.000392 -0.000000 )
( -0.148691 0.000000 -0.039951 0.000000 -0.000071 0.000000 )
( -0.191902 0.000000 -0.084672 0.000000 -0.000150 0.000000 )
( -0.315134 0.000000 -0.084672 0.000000 -0.000092 0.000000 )
( -0.315134 0.000000 -0.051561 0.000000 -0.000150 0.000000 )
( 0.836469 -0.000000 -0.006593 0.000000 0.155335 -0.000000 )
( -0.151372 0.000000 0.001193 -0.000000 -0.028110 0.000000 )
( -0.195362 0.000000 0.002529 -0.000000 -0.059577 0.000000 )
( -0.320816 0.000000 0.002529 -0.000000 -0.036280 0.000000 )
( -0.320816 0.000000 0.001540 -0.000000 -0.059577 0.000000 )
freq ( 6) = 0.242573 [THz] = 8.091352 [cm-1]
( -0.220756 0.000000 0.821630 0.000000 -0.006646 0.000000 )
( 0.039949 0.000000 -0.148686 0.000000 0.001203 0.000000 )
( 0.051559 0.000000 -0.315125 0.000000 0.002549 0.000000 )
( 0.084668 0.000000 -0.315125 0.000000 0.001552 0.000000 )
( 0.084668 0.000000 -0.191897 0.000000 0.002549 0.000000 )
( 0.006706 0.000000 0.850769 0.000000 0.000001 0.000000 )
( -0.001213 0.000000 -0.153959 0.000000 -0.000000 0.000000 )
( -0.001566 0.000000 -0.326301 0.000000 -0.000000 0.000000 )
( -0.002572 0.000000 -0.326301 0.000000 -0.000000 0.000000 )
( -0.002572 0.000000 -0.198702 0.000000 -0.000000 0.000000 )
freq ( 7) = 0.693998 [THz] = 23.149277 [cm-1]
( 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
( 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
( 0.000000 0.000000 -0.154883 0.000000 0.014024 0.000000 )
( -0.689793 0.000000 0.154883 0.000000 -0.000000 0.000000 )
( 0.689793 0.000000 -0.000000 0.000000 -0.014024 0.000000 )
freq ( 8) = 0.693998 [THz] = 23.149277 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 )
( 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 )
( 0.000000 -0.000000 0.689925 -0.000000 0.007152 -0.000000 )
( -0.154767 0.000000 -0.689925 0.000000 -0.000000 0.000000 )
( 0.154767 -0.000000 0.000000 -0.000000 -0.007152 0.000000 )
freq ( 9) = 0.693998 [THz] = 23.149277 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
( -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
( -0.000000 0.000000 0.006043 0.000000 0.706785 0.000000 )
( 0.020449 0.000000 -0.006043 0.000000 0.000000 0.000000 )
( -0.020449 0.000000 0.000000 0.000000 -0.706785 0.000000 )
freq ( 8) = 0.693998 [THz] = 23.149277 [cm-1]
( 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 )
( 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
( 0.000000 0.000000 -0.003908 0.000000 0.706932 0.000000 )
( 0.015250 0.000000 0.003908 0.000000 0.000000 0.000000 )
( -0.015250 0.000000 0.000000 0.000000 -0.706932 0.000000 )
( 0.000000 0.000000 0.665370 0.000000 0.001236 0.000000 )
( -0.239335 0.000000 -0.665370 0.000000 0.000000 0.000000 )
( 0.239335 0.000000 0.000000 0.000000 -0.001236 0.000000 )
freq ( 9) = 0.693998 [THz] = 23.149277 [cm-1]
( 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 )
( -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 )
( -0.000000 0.000000 0.239261 -0.000000 -0.021287 0.000000 )
( 0.665057 -0.000000 -0.239261 0.000000 -0.000000 0.000000 )
( -0.665057 0.000000 0.000000 -0.000000 0.021287 -0.000000 )
freq ( 10) = 1.159416 [THz] = 38.673946 [cm-1]
( -0.033170 0.000000 -0.131151 0.000000 0.005174 -0.000000 )
( 0.172521 -0.000000 0.682122 -0.000000 -0.026908 0.000000 )
( 0.078492 -0.000000 -0.424087 0.000000 0.016729 -0.000000 )
( -0.107259 0.000000 -0.424087 0.000000 -0.012243 0.000000 )
( -0.107259 0.000000 0.310348 -0.000000 0.016729 -0.000000 )
( 0.008620 -0.000000 0.004652 -0.000000 0.135024 -0.000000 )
( -0.044831 0.000000 -0.024198 0.000000 -0.702269 0.000000 )
( -0.020397 0.000000 0.015044 -0.000000 0.436613 -0.000000 )
( 0.027872 -0.000000 0.015044 -0.000000 -0.319514 0.000000 )
( 0.027872 -0.000000 -0.011009 0.000000 0.436613 -0.000000 )
freq ( 11) = 1.159416 [THz] = 38.673946 [cm-1]
( 0.002794 0.000000 -0.006041 0.000000 -0.135215 0.000000 )
( -0.014532 0.000000 0.031418 0.000000 0.703263 0.000000 )
( -0.006612 0.000000 -0.019533 0.000000 -0.437231 0.000000 )
( 0.009035 0.000000 -0.019533 0.000000 0.319966 0.000000 )
( 0.009035 0.000000 0.014294 0.000000 -0.437231 0.000000 )
( 0.116664 0.000000 0.067979 0.000000 -0.009790 0.000000 )
( -0.606778 0.000000 -0.353561 0.000000 0.050917 0.000000 )
( -0.276068 0.000000 0.219815 0.000000 -0.031656 0.000000 )
( 0.377245 0.000000 0.219815 0.000000 0.023166 0.000000 )
( 0.377245 0.000000 -0.160861 0.000000 -0.031656 0.000000 )
freq ( 12) = 1.159416 [THz] = 38.673946 [cm-1]
( 0.131223 0.000000 -0.033023 0.000000 0.004187 0.000000 )
( -0.682497 0.000000 0.171757 0.000000 -0.021776 0.000000 )
( -0.310519 0.000000 -0.106784 0.000000 0.013539 0.000000 )
( 0.424321 0.000000 -0.106784 0.000000 -0.009908 0.000000 )
( 0.424321 0.000000 0.078145 0.000000 0.013539 0.000000 )
( 0.068137 0.000000 -0.116982 0.000000 -0.000319 0.000000 )
( -0.354384 0.000000 0.608430 0.000000 0.001659 0.000000 )
( -0.161235 0.000000 -0.378272 0.000000 -0.001031 0.000000 )
( 0.220327 0.000000 -0.378272 0.000000 0.000755 0.000000 )
( 0.220327 0.000000 0.276820 0.000000 -0.001031 0.000000 )
freq ( 13) = 2.344153 [THz] = 78.192524 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 0.006854 0.000000 )
( 0.000000 0.000000 0.000000 0.000000 0.565013 0.000000 )
( -0.000000 0.000000 0.000000 0.000000 0.129601 0.000000 )
( 0.000000 0.000000 0.000000 0.000000 -0.804438 0.000000 )
( 0.000000 0.000000 -0.000000 0.000000 0.129601 0.000000 )
( 0.000000 0.000000 -0.000000 0.000000 0.006854 0.000000 )
( 0.000000 0.000000 -0.000000 0.000000 0.565013 0.000000 )
( -0.000000 0.000000 -0.000000 0.000000 0.129601 0.000000 )
( 0.000000 0.000000 -0.000000 0.000000 -0.804438 0.000000 )
( 0.000000 0.000000 0.000000 0.000000 0.129601 0.000000 )
freq ( 14) = 2.344153 [THz] = 78.192524 [cm-1]
( 0.000160 0.000000 0.006852 0.000000 -0.000000 0.000000 )
( 0.013163 0.000000 0.564860 0.000000 -0.000000 0.000000 )
( -0.018740 0.000000 0.129566 0.000000 -0.000000 0.000000 )
( 0.003019 0.000000 0.129566 0.000000 0.000000 0.000000 )
( 0.003019 0.000000 -0.804219 0.000000 -0.000000 0.000000 )
( -0.006802 0.000000 -0.000842 0.000000 0.000000 0.000000 )
( -0.560731 0.000000 -0.069433 0.000000 -0.000000 0.000000 )
( 0.798341 0.000000 -0.015926 0.000000 0.000000 0.000000 )
( -0.128619 0.000000 -0.015926 0.000000 -0.000000 0.000000 )
( -0.128619 0.000000 0.098855 0.000000 -0.000000 0.000000 )
freq ( 15) = 2.344153 [THz] = 78.192524 [cm-1]
( 0.006852 0.000000 -0.000160 0.000000 -0.000000 0.000000 )
( 0.564860 0.000000 -0.013163 0.000000 -0.000000 0.000000 )
( -0.804219 0.000000 -0.003019 0.000000 0.000000 0.000000 )
( 0.129566 0.000000 -0.003019 0.000000 0.000000 0.000000 )
( 0.129566 0.000000 0.018740 0.000000 0.000000 0.000000 )
( 0.000842 0.000000 -0.006802 0.000000 0.000000 0.000000 )
( 0.069433 0.000000 -0.560731 0.000000 -0.000000 0.000000 )
( -0.098855 0.000000 -0.128619 0.000000 0.000000 0.000000 )
( 0.015926 0.000000 -0.128619 0.000000 0.000000 0.000000 )
( 0.015926 0.000000 0.798341 0.000000 -0.000000 0.000000 )
**************************************************************************
Loading

0 comments on commit 3aabdd1

Please sign in to comment.