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Merge pull request #979 from pxlxingliang/develop
test(integrate):add the test about the key mem_saver
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INPUT_PARAMETERS
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#Parameters (1.General)
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suffix autotest
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calculation nscf
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ntype 1
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nbands 6
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symmetry 0
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pseudo_dir ../tools/PP_ORB/
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read_file_dir ./
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#Parameters (2.Iteration)
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ecutwfc 20
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scf_thr 1e-8
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scf_nmax 100
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#out_chg 1
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init_chg file
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out_band 1
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out_dos 1
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pw_diag_thr 0.00001
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#Parameters (3.Basis)
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basis_type pw
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#Parameters (4.Smearing)
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smearing_method gauss
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smearing_sigma 0.002
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#Parameters (5.Mixing)
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mixing_type plain
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mixing_beta 0.7
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mem_saver 1
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K_POINTS
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2
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Line
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0.5 0.5 0.5 5
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0.0 0.0 0.0 1

tests/integrate/107_PW_OBOD_MemSaver/SPIN1_CHG

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ATOMIC_SPECIES
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Si 14 Si.pz-vbc.UPF
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LATTICE_CONSTANT
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10.2 // add lattice constant
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LATTICE_VECTORS
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0.5 0.5 0.0
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0.5 0.0 0.5
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0.0 0.5 0.5
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ATOMIC_POSITIONS
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Direct
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Si // Element type
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0.0 // magnetism
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2
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0.00 0.00 0.00 1 1 1
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0.25 0.25 0.25 1 1 1
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Test the output of bands and dos with key word "mem_saver"
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totaldosref 1190.44
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totalbandref 243.274815
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totaltimeref

tests/integrate/CASES

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106_PW_PU_chargemixing
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107_PW_OB_outputbands
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107_PW_OD_outputdos
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107_PW_OBOD_MemSaver
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107_PW_outWfcR
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107_PW_outWfcPw
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108_PW_RE

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