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 <[email protected]> wrote: > Musari A.A > Moshood Abiola Polytechnic, > Abeokuta, > Tel no: +2348033974755 +2348182579380 > ---------- Forwarded message ---------- > From: "Abolore Musari" <[email protected]> > Date: Aug 13, 2016 1:32 PM > Subject: Unit conversion > To: "PWSCF Forum" <[email protected]> > 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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