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CHEM6136
exercises
Commits
87c8679d
Commit
87c8679d
authored
7 years ago
by
dk2u09
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Fixed pps file
parent
b968ab71
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Cu_bulk/cu.scf.in
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87c8679d
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@@ -18,7 +18,7 @@
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@@ -18,7 +18,7 @@
mixing_beta = 0.7
mixing_beta = 0.7
/
/
ATOMIC_SPECIES
ATOMIC_SPECIES
Cu 63.55 Cu.p
z-d-rrkjus
.UPF
Cu 63.55 Cu.p
be-dn-kjpaw_psl.0.2
.UPF
ATOMIC_POSITIONS
ATOMIC_POSITIONS
Cu 0.0 0.0 0.0
Cu 0.0 0.0 0.0
K_POINTS (automatic)
K_POINTS (automatic)
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