├── AUSURF112 ├── Au.pbe-nd-van.UPF └── ausurf.in ├── CNT10POR8 ├── C.pbe-van_bm.UPF ├── H.pbe-van_bm.UPF ├── Job.new ├── N.pbe-van_bm.UPF ├── O.pbe-van_bm.UPF ├── REFERENCE_pw.out ├── cp.in └── pw.in ├── GRIR443 ├── C.pbe-paw_kj-x.UPF ├── Ir.pbe-paw_kj.UPF └── grir443.in ├── GRIR686 ├── C.pbe-paw_kj-x.UPF ├── Ir.pbe-paw_kj.UPF └── grir686.in ├── LICENSE ├── PHonon ├── test-3_LaO_80_epsilon │ ├── La.pbe-nsp-van.UPF │ ├── La_NC.UPF │ ├── O.pbe-n-rrkjus_psl.0.1.UPF │ ├── O_NC.UPF │ ├── README.md │ ├── input_LaO80_scf │ ├── input_LaO80_scf_nc │ ├── input_LaO80_scf_us │ ├── input_ph-epsil │ ├── input_ph-epsil_nc │ └── input_ph-epsil_us ├── test_1_Quartz36 │ ├── O.pbe-mt.UPF │ ├── O.pbesol-n-kjpaw_psl.0.1.UPF │ ├── O.pbesol-n-rrkjus_psl.0.1.UPF │ ├── README.md │ ├── Si.pbe-rrkj.UPF │ ├── Si.pbesol-n-kjpaw_psl.0.1.UPF │ ├── Si.pbesol-n-rrkjus_psl.0.1.UPF │ ├── input_ph_nc │ ├── input_ph_paw │ ├── input_ph_us │ ├── input_scf_nc │ ├── input_scf_paw │ ├── input_scf_us │ ├── out_ph_nc │ ├── out_ph_paw │ └── out_ph_us ├── test_2_Quartz144 │ ├── O.pbe-mt.UPF │ ├── O.pbesol-n-rrkjus_psl.0.1.UPF │ ├── README.md │ ├── Si.pbe-rrkj.UPF │ ├── Si.pbesol-n-rrkjus_psl.0.1.UPF │ ├── input_ph-G10_nc │ ├── input_ph-G10_us │ ├── input_scf_nc │ └── input_scf_us └── test_4_CrI3_2D │ ├── Cr_fr_lda.upf │ ├── I_fr_lda.upf │ ├── README.md │ ├── input_ph │ └── input_scf ├── PSIWAT ├── Au.pbe-van_ak.UPF ├── C.pbe-van_bm.UPF ├── H.pbe-van_bm.UPF ├── N.pbe-van_bm.UPF ├── O.pbe-van_bm.UPF └── psiwat.in ├── other-inputs ├── CuO │ ├── 1526990.in │ ├── Cu.pbe-dn-kjpaw_psl.0.2.UPF │ ├── O.pbe-n-kjpaw_psl.0.1.UPF │ └── README.md └── water │ ├── README.md │ ├── pseudo │ ├── H.pbe-mt_fhi.UPF │ └── O.pbe-mt_fhi.UPF │ └── pw.in └── small-benchmarks ├── benchmark-results.txt ├── para-speedup.sh ├── pseudopotentials.d ├── C.pbe-van_bm.UPF ├── Fe.pz-nd-rrkjus.UPF ├── H.US_PBE.RRKJ3.UPF ├── NUSPBE.RRKJ3 ├── Ni-pbe-us.van ├── O.pbe-rrkjus.UPF ├── O.vdb.UPF └── Zr.vdb.UPF └── pwscf_bench.sh 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