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phonopy/example/MgB2
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Atsushi Togo e3d9dd3a0d Add FORCE_SETS file to example/MgB2 2013-01-22 15:23:44 +09:00
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FORCE_SETS Add FORCE_SETS file to example/MgB2 2013-01-22 15:23:44 +09:00
MgB2.py Update phonopy scripts to adopt Phonopy.set_force_sets method 2013-01-22 15:20:39 +09:00
POSCAR Commit version 1.6.3 2012-12-11 17:15:20 +09:00
README Commit version 1.6.3 2012-12-11 17:15:20 +09:00
band.conf Commit version 1.6.3 2012-12-11 17:15:20 +09:00
disp.yaml Commit version 1.6.3 2012-12-11 17:15:20 +09:00
vasprun.xml-001 Commit version 1.6.3 2012-12-11 17:15:20 +09:00
vasprun.xml-002 Commit version 1.6.3 2012-12-11 17:15:20 +09:00

README 

% phonopy -f vasprun.xml-{001..002}
% phonopy -p band.conf

The band path is refered to Bohnen et al., PRL 86, 5771 (2001).