JDFTx  1.1.2
Variables
Units.h File Reference

Commonly used measurement units in terms of atomic units. More...

#include <cmath>

Go to the source code of this file.

Variables

const double eV = 1/27.21138505
 $ eV / E_h $
 
const double Joule = 1/4.35974434e-18
 $ J / E_h $
 
const double KJoule = 1000*Joule
 $ KJ / E_h $
 
const double Kcal = KJoule * 4.184
 $ Kcal / E_h $
 
const double Kelvin = 1.3806488e-23*Joule
 $ k_B K / E_h $
 
const double invcm = 1./219474.6313705
 $ cm^{-1} / E_h $
 
const double Angstrom = 1/0.5291772
 $ \AA / a_0 $
 
const double meter = 1e10*Angstrom
 $ m / a_0 $
 
const double liter = 1e-3*pow(meter,3)
 $ l / a_0^3 $
 
const double amu = 1822.88839
 $ amu / m_e $
 
const double kg = 1./9.10938291e-31
 $ kg / m_e $
 
const double mol = 6.0221367e23
 $ mol/\# $ (= Avogadro number)
 
const double Newton = Joule/meter
 $ N / (E_h/a_0) $
 
const double Pascal = Newton/(meter*meter)
 $ Pa / (E_h/a_0^2) $
 
const double KPascal = 1000*Pascal
 $ KPa / (E_h/a_0^2) $
 
const double Bar = 100*KPascal
 $ bar / (E_h/a_0^2) $
 
const double mmHg = 133.322387415*Pascal
 $ mmHg / (E_h/a_0^2) $
 
const double sec = sqrt((kg*meter)/Newton)
 $ \sqrt{kg m/N} $
 
const double fs = sec*1.0e-15
 $ 10^{-15} sec $
 

Detailed Description

Commonly used measurement units in terms of atomic units.