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ladinesaladinesa
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Add phonopy test
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‎tests/data/phonopy/vasp/FORCE_SETS‎

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‎tests/data/phonopy/vasp/INCAR‎

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SYSTEM = Phonons Benzene orthorhombic
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# Electronic degrees
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ENCUT = 900
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LREAL = .FALSE.
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PREC = Accurate #
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ALGO = Fast #
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# Convergence criteria
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EDIFF = 1E-8 #
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#
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IBRION=-1;
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ISMEAR = 0 ; SIGMA = 0.05
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#parallelisation
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LPLANE = .TRUE.
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NSIM = 4
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NCORE = 16
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#KPAR = 1
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#vdW-D3BJ correction
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IVDW=12
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#
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ISTART = 0
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LCHARG = .FALSE.
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LWAVE = .FALSE.

‎tests/data/phonopy/vasp/KPOINTS‎

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Automatic mesh
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0 ! number of k-points = 0 ->automatic generation scheme
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Gamma !
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1 1 1 ! subdivisions N_1, N_2 and N_3 along recipr. l. vectors
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0. 0. 0. ! optional shift of the mesh (s_1, s_2, s_3)

‎tests/data/phonopy/vasp/POSCAR‎

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#scaled (0.997961) poscar
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C H
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24 24
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Direct
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