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clean code
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abelcarreras committed Nov 6, 2017
1 parent ad6f85b commit 977da2a
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Showing 3 changed files with 0 additions and 26 deletions.
8 changes: 0 additions & 8 deletions workchains/launcher/launch_gruneisen_gan.py
Original file line number Diff line number Diff line change
Expand Up @@ -108,14 +108,6 @@
'ELECTRONS': {'conv_thr': 1.e-6,}
}

# Kpoints
#kpoints_mesh = 2
#kpoints = KpointsData()
#kpoints.set_kpoints_mesh([kpoints_mesh, kpoints_mesh, kpoints_mesh])
#code = Code.get_from_string('pw@stern_outside')

pseudos = Str('pbe_ps')

settings_dict = {'code': 'pw@stern_outside',
'parameters': parameters_dict,
'kpoints_per_atom': 1000, # k-point density
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9 changes: 0 additions & 9 deletions workchains/launcher/launch_optimize_gan.py
Original file line number Diff line number Diff line change
Expand Up @@ -105,15 +105,6 @@
'ELECTRONS': {'conv_thr': 1.e-6,}
}


# Kpoints
#kpoints_mesh = 2
#kpoints = KpointsData()
#kpoints.set_kpoints_mesh([kpoints_mesh, kpoints_mesh, kpoints_mesh])
#code = Code.get_from_string('pw@stern_outside')

pseudos = Str('pbe_ps')

settings_dict = {'code': 'pw@stern_outside',
'parameters': parameters_dict,
'kpoints_per_atom': 1000, # k-point density
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9 changes: 0 additions & 9 deletions workchains/launcher/launch_phonon_gan.py
Original file line number Diff line number Diff line change
Expand Up @@ -98,15 +98,6 @@
'ELECTRONS': {'conv_thr': 1.e-6,}
}


# Kpoints
#kpoints_mesh = 2
#kpoints = KpointsData()
#kpoints.set_kpoints_mesh([kpoints_mesh, kpoints_mesh, kpoints_mesh])
#code = Code.get_from_string('pw@stern_outside')

pseudos = Str('pbe_ps')

settings_dict = {'code': 'pw@stern_outside',
'parameters': parameters_dict,
'kpoints_per_atom': 1000, # k-point density
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