[Pw_forum] Fwd: Unit conversion

[Lorenzo Paulatto]

grep -i HARTREE_SI Modules/constants.f90
  REAL(DP), PARAMETER :: HARTREE_SI       = 4.35974394E-18_DP   ! J
  REAL(DP), PARAMETER :: RYDBERG_SI       = HARTREE_SI/2.0_DP   ! J
grep -i boltz Modules/constants.f90
  REAL(DP), PARAMETER :: K_BOLTZMANN_SI   = 1.3806504E-23_DP    ! J K^-1
  REAL(DP), PARAMETER :: K_BOLTZMANN_AU   = K_BOLTZMANN_SI / HARTREE_SI
  REAL(DP), PARAMETER :: K_BOLTZMANN_RY   = K_BOLTZMANN_SI / RYDBERG_SI


On 14 August 2016 at 17:14, Abolore Musari <abmus007 at gmail.com> wrote:

> Musari A.A
> Moshood Abiola Polytechnic,
> Abeokuta,
> Tel no: +2348033974755 +2348182579380
> ---------- Forwarded message ----------
> From: "Abolore Musari" <abmus007 at gmail.com>
> Date: Aug 13, 2016 1:32 PM
> Subject: Unit conversion
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Cc:
>
> Please how do l convert Heat capacity in ideal gas constant unit R to
> Ry/cell and Entropy in Boltzmann constant to Ry/cell
> Am so sorry if my question is not relevant
> Thanks
>
> Musari A.A
> Moshood Abiola Polytechnic,
> Abeokuta,
> Tel no: +2348033974755 +2348182579380
>
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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