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add a test case for open-shell solver
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INPUT_PARAMETERS
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#Parameters (1.General)
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suffix autotest
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pseudo_dir ../../../tests/PP_ORB
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orbital_dir ../../../tests/PP_ORB
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calculation scf
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nbands 6
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symmetry -1
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nspin 2
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#Parameters (2.Iteration)
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ecutwfc 10
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scf_thr 1e-2
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scf_nmax 20
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exx_hybrid_step 1
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#Parameters (3.Basis)
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basis_type lcao
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gamma_only 1
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#Parameters (4.Smearing)
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smearing_method gaussian
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smearing_sigma 0.02
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#Parameters (5.Mixing)
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mixing_type pulay
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mixing_beta 0.4
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mixing_gg0 0
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dft_functional lda
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exx_real_number 1
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exx_ccp_rmesh_times 1
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lr_nstates 3
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xc_kernel lda
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lr_solver lapack
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lr_thr 1e-2
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lr_unrestricted 1
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pw_diag_ndim 2
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esolver_type ks-lr
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nvirt 2
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nocc 2
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ATOMIC_SPECIES
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H 1.008 H_ONCV_PBE-1.0.upf
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O 15.9994 O_ONCV_PBE-1.0.upf
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NUMERICAL_ORBITAL
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H_gga_8au_60Ry_2s1p.orb
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O_gga_7au_60Ry_2s2p1d.orb
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LATTICE_CONSTANT
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1
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LATTICE_VECTORS
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28 0 0
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0 28 0
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0 0 28
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ATOMIC_POSITIONS
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Cartesian
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H
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0
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2
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-12.046787058887078 18.76558614676448 8.395247471328744 1 1 1
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-14.228868795885418 20.61549300274637 7.611989524516571 1 1 1
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O
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0
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1
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-13.486789117423204 19.684192208418636 8.958321352749174 1 1 1
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test for linear response TDHF using open-shell solver
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totexcitationenergyref 1.940703

tests/integrate/CASES_CPU.txt

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386_NO_GO_MD_S1_HSE
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391_NO_GO_LR
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392_NO_GO_LR_HF
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393_NO_GO_ULR_HF
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401_NP_KP_sp
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401_NP_KP_spd
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#501_NO_neighboring_GaAs512

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