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pseudopotentials.py
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import os
qe_pppath = os.path.abspath("/PATH/TO/ESPRESSO/UPF/FILES")
qe_uspp_gipaw = {
'Ac' : 'Ac.pbe-spfn-rrkjus_gipaw.UPF',
'Ag' : 'Ag.pbe-spn-rrkjus_gipaw.UPF',
'Al' : 'Al.pbe-n-rrkjus_gipaw.UPF',
'Am' : 'Am.pbe-spfn-rrkjus_gipaw.UPF',
'Ar' : 'Ar.pbe-n-rrkjus_gipaw.UPF',
'As' : 'As.pbe-n-rrkjus_gipaw.UPF',
'At' : 'At.pbe-dn-rrkjus_gipaw.UPF',
'Au' : 'Au.pbe-spn-rrkjus_gipaw.UPF',
'B' : 'B.pbe-n-rrkjus_gipaw.UPF',
'Ba' : 'Ba.pbe-spn-rrkjus_gipaw.UPF',
'Be' : 'Be.pbe-s-rrkjus_gipaw.UPF',
'Bi' : 'Bi.pbe-dn-rrkjus_gipaw.UPF',
'Br' : 'Br.pbe-n-rrkjus_gipaw.UPF',
'C' : 'C.pbe-n-rrkjus_gipaw.UPF',
'Ca' : 'Ca.pbe-spn-rrkjus_gipaw.UPF',
'Cd' : 'Cd.pbe-spn-rrkjus_gipaw.UPF',
'Ce' : 'Ce.pbe-spdn-rrkjus_gipaw.UPF',
'Cl' : 'Cl.pbe-n-rrkjus_gipaw.UPF',
'Co' : 'Co.pbe-spn-rrkjus_gipaw.UPF',
'Cr' : 'Cr.pbe-spn-rrkjus_gipaw.UPF',
'Cs' : 'Cs.pbe-spn-rrkjus_gipaw.UPF',
'Cu' : 'Cu.pbe-spn-rrkjus_gipaw.UPF',
'Dy' : 'Dy.pbe-spdn-rrkjus_gipaw.UPF',
'Er' : 'Er.pbe-spdn-rrkjus_gipaw.UPF',
'Eu' : 'Eu.pbe-spn-rrkjus_gipaw.UPF',
'F' : 'F.pbe-n-rrkjus_gipaw.UPF',
'Fe' : 'Fe.pbe-spn-rrkjus_gipaw.UPF',
'Fr' : 'Fr.pbe-spdn-rrkjus_gipaw.UPF',
'Ga' : 'Ga.pbe-dn-rrkjus_gipaw.UPF',
'Gd' : 'Gd.pbe-spdn-rrkjus_gipaw.UPF',
'Ge' : 'Ge.pbe-n-rrkjus_gipaw.UPF',
'H' : 'H.pbe-rrkjus_gipaw.UPF',
'He' : 'He.pbe-rrkjus_gipaw.UPF',
'Hf' : 'Hf.pbe-spn-rrkjus_gipaw.UPF',
'Hg' : 'Hg.pbe-spn-rrkjus_gipaw.UPF',
'Ho' : 'Ho.pbe-spdn-rrkjus_gipaw.UPF',
'I' : 'I.pbe-n-rrkjus_gipaw.UPF',
'In' : 'In.pbe-dn-rrkjus_gipaw.UPF',
'Ir' : 'Ir.pbe-spn-rrkjus_gipaw.UPF',
'K' : 'K.pbe-spn-rrkjus_gipaw.UPF',
'Kr' : 'Kr.pbe-dn-rrkjus_gipaw.UPF',
'La' : 'La.pbe-spfn-rrkjus_gipaw.UPF',
'Li' : 'Li.pbe-s-rrkjus_gipaw.UPF',
'Lu' : 'Lu.pbe-spdn-rrkjus_gipaw.UPF',
'Mg' : 'Mg.pbe-spn-rrkjus_gipaw.UPF',
'Mn' : 'Mn.pbe-spn-rrkjus_gipaw.UPF',
'Mo' : 'Mo.pbe-spn-rrkjus_gipaw.UPF',
'N' : 'N.pbe-n-rrkjus_gipaw.UPF',
'Na' : 'Na.pbe-spn-rrkjus_gipaw.UPF',
'Nb' : 'Nb.pbe-spn-rrkjus_gipaw.UPF',
'Nd' : 'Nd.pbe-spdn-rrkjus_gipaw.UPF',
'Ne' : 'Ne.pbe-n-rrkjus_gipaw.UPF',
'Ni' : 'Ni.pbe-spn-rrkjus_gipaw.UPF',
'Np' : 'Np.pbe-spfn-rrkjus_gipaw.UPF',
'O' : 'O.pbe-n-rrkjus_gipaw.UPF',
'Os' : 'Os.pbe-spn-rrkjus_gipaw.UPF',
'P' : 'P.pbe-n-rrkjus_gipaw.UPF',
'Pa' : 'Pa.pbe-spfn-rrkjus_gipaw.UPF',
'Pb' : 'Pb.pbe-dn-rrkjus_gipaw.UPF',
'Pd' : 'Pd.pbe-spn-rrkjus_gipaw.UPF',
'Pm' : 'Pm.pbe-spdn-rrkjus_gipaw.UPF',
'Po' : 'Po.pbe-dn-rrkjus_gipaw.UPF',
'Pr' : 'Pr.pbe-spdn-rrkjus_gipaw.UPF',
'Pt' : 'Pt.pbe-spn-rrkjus_gipaw.UPF',
'Pu' : 'Pu.pbe-spfn-rrkjus_gipaw.UPF',
'Ra' : 'Ra.pbe-spdn-rrkjus_gipaw.UPF',
'Rb' : 'Rb.pbe-spn-rrkjus_gipaw.UPF',
'Re' : 'Re.pbe-spn-rrkjus_gipaw.UPF',
'Rh' : 'Rh.pbe-spn-rrkjus_gipaw.UPF',
'Rn' : 'Rn.pbe-dn-rrkjus_gipaw.UPF',
'Ru' : 'Ru.pbe-spn-rrkjus_gipaw.UPF',
'S' : 'S.pbe-n-rrkjus_gipaw.UPF',
'Sb' : 'Sb.pbe-n-rrkjus_gipaw.UPF',
'Sc' : 'Sc.pbe-spn-rrkjus_gipaw.UPF',
'Se' : 'Se.pbe-n-rrkjus_gipaw.UPF',
'Si' : 'Si.pbe-n-rrkjus_gipaw.UPF',
'Sm' : 'Sm.pbe-spdn-rrkjus_gipaw.UPF',
'Sn' : 'Sn.pbe-dn-rrkjus_gipaw.UPF',
'Sr' : 'Sr.pbe-spn-rrkjus_gipaw.UPF',
'Ta' : 'Ta.pbe-spn-rrkjus_gipaw.UPF',
'Tb' : 'Tb.pbe-spdn-rrkjus_gipaw.UPF',
'Tc' : 'Tc.pbe-spn-rrkjus_gipaw.UPF',
'Te' : 'Te.pbe-n-rrkjus_gipaw.UPF',
'Th' : 'Th.pbe-spfn-rrkjus_gipaw.UPF',
'Ti' : 'Ti.pbe-spn-rrkjus_gipaw.UPF',
'Tl' : 'Tl.pbe-dn-rrkjus_gipaw.UPF',
'Tm' : 'Tm.pbe-spdn-rrkjus_gipaw.UPF',
'U' : 'U.pbe-spfn-rrkjus_gipaw.UPF',
'V' : 'V.pbe-spn-rrkjus_gipaw.UPF',
'W' : 'W.pbe-spn-rrkjus_gipaw.UPF',
'Xe' : 'Xe.pbe-dn-rrkjus_gipaw.UPF',
'Y' : 'Y.pbe-spn-rrkjus_gipaw.UPF',
'Yb' : 'Yb.pbe-spn-rrkjus_gipaw.UPF',
'Zn' : 'Zn.pbe-spn-rrkjus_gipaw.UPF',
'Zr' : 'Zr.pbe-spn-rrkjus_gipaw.UPF'
}