howto:gfn1xtb

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2d_polymer.coord.gz

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2rib.jpg
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64water.coord.gz

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730px-rt_tddft_h2o_resonant_spec_field.png
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alanine.png
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coverage.jpg
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dendrites.jpg
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dftb_params.tgz

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dftd3.dat.gz

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dye_tio_bonding_density.png
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dye2.png
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e2_bis.zip

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e2.zip

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e4.1.zip

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e4.2.zip

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eld.png
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eld1.png
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ethene_pi_orbital.png
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exercise_1.1.zip

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exercise_1.2.zip

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exercise_2.1.zip

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exercise_2.2.zip

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exercise_2.3.zip

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exercise_3.1.tar.gz

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exercise_3.1.zip

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exercise_3.2.tar.gz

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exercise_3.2.zip

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exercise_3.zip

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exercise_4.1.tar.gz

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exercise_4.1.zip

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exercise_4.2.tar.gz

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exercise_4.2.zip

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exercise_5.1.tar.gz

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exercise_5.1.zip

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exercise_10.1.tar.gz

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exercise_10.2.tar.gz

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exercise_11.1.tar.gz

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exercise_11.2.tar.gz

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exercise-10.1.tar.gz

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exercise-10.2.tar.gz

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exercise-11.2.tar.gz

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exercise-12.tar.gz

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exercise5.1.zip

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fcc_surf_2.png
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fcc_surf.png
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final_0.1_300_0.1_0.1.png
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graphene_bands.png
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graphene_dos.png
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graphene-bands-reference.png
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graphene-bz.png
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hex_0.jpg
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hexaiodobenzene.jpg
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ice_ih_96.xyz.gz

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l2017_02.pdf

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lect2_surf.001.jpg
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lect2_surf.002.jpg
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lect2_surf.003.jpg
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lj38bs.jpg
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master.img-002.jpg
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myfunctions.zip

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neb_path1.gif
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neb_path2.gif
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o3.png
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pathneb.png
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plots_0.0_200.0.png
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screen_shot_2014-02-26_at_9.38.21_am.png
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screen_shot_2015-03-19_at_23.03.32.png
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t_c_g.dat.gz

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tio2_pbe-restart.wfn.gz

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update_functionlibrary.zip

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howto/gfn1xtb.txt · Last modified: 2024/01/03 13:22 by oschuett