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Fix examples/GaN/eos.yaml
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singularitti committed Sep 12, 2021
1 parent b09bd31 commit 98648c1
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion examples/GaN/eos.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,9 @@ recipe: eos
cli:
mpi:
np: 16
template: examples/GaN/template.in
template: template.in
save:
status: status.jls
fixed:
pressures:
unit: GPa
Expand All @@ -21,3 +23,4 @@ trial_eos:
v0: 317 bohr^3
b0: 210 GPa
b′0: 4
e0: -612.43149513 Ry

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