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add some conversions factors
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@ -1,22 +1,32 @@
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BEGIN_PROVIDER [double precision, ha_to_ev]
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BEGIN_PROVIDER [double precision, ha_to_ev]
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&BEGIN_PROVIDER [double precision, au_to_D]
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&BEGIN_PROVIDER [double precision, planck_cte]
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&BEGIN_PROVIDER [double precision, light_speed]
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&BEGIN_PROVIDER [double precision, Ha_to_J]
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&BEGIN_PROVIDER [double precision, Ha_to_nm]
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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! Converstion from Hartree to eV
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! Some conversion between different units
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END_DOC
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END_DOC
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ha_to_ev = 27.211396641308d0
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! Hartree to eV
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Ha_to_eV = 27.211396641308d0
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END_PROVIDER
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BEGIN_PROVIDER [double precision, au_to_D]
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implicit none
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BEGIN_DOC
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! Converstion from au to Debye
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END_DOC
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! au to Debye
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au_to_D = 2.5415802529d0
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au_to_D = 2.5415802529d0
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END_PROVIDER
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! Planck's constant in SI units
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planck_cte = 6.62606957d-34
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! Light speed in SI units
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light_speed = 2.99792458d10
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! Hartree to Joule
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Ha_to_J = 4.35974434d-18
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! Hartree to nm
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Ha_to_nm = 1d9 * (planck_cte * light_speed) / Ha_to_J
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END_PROVIDER
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