EPWpy.QE.set_QE
QE class for interfacing with quantum espresso
Classes
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class EPWpy.QE.set_QE.SetQE(type_input, system='si', code='.', env='mpirun')[source]
Bases: object
This class sets input files for quantum espresso and EPW.
The default values are provided in set_vals class
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filkf(path=None, length=None, name='filkf.txt')[source]
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property nk_1
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property nk_2
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property nk_3
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set_QE_pp(inputpp, plot)[source]
setting QE PP
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set_bands(bands)[source]
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set_cards(cards)[source]
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set_cell(cell)[source]
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set_cell_parameters(cell_parameters, setcell=False)[source]
sets cell_parameters
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set_control(control)[source]
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set_custom(parameters)[source]
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set_dvscf_q2r(dvscf_q2r)[source]
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set_dynmat(dynmat)[source]
setting dynmat attributes
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set_electrons(electrons)[source]
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set_eps(inputpp, energy_grid)[source]
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set_epw(epwin)[source]
Setting EPW calculation
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set_ions(ions)[source]
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set_kpoints(kpoints)[source]
Sets the pw.x kpoint grid
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set_matdyn(matdyn, kpoints)[source]
setting matdyn attributes
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set_phonons(phonons, qpoints)[source]
setting phonon attributes
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set_postahc(postahc)[source]
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set_q2r(q2r)[source]
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set_system(system)[source]
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set_wannier(win, pw2wan)[source]
Sets the variables for a Wannier function calculation
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set_zg(inputzg, inputazg)[source]
Preparing EPW/ZG calculation
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set_zg_o(zg)[source]
keeping this as legacy in case!
