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Typing make ph from the root QUANTUM ESPRESSO directory, or make 
from the PHonon directory, produces the following codes:
- PH/ph.x: Calculates phonon frequencies and displacement patterns,
    dielectric tensors, effective charges (uses data produced by pw.x). 
- PH/dynmat.x: applies various kinds of Acoustic Sum Rule (ASR),
    calculates LO-TO splitting at 
 = 0
 in insulators, IR and Raman
    cross sections (if the coefficients have been properly calculated),
    from the dynamical matrix produced by ph.x = 0
 in insulators, IR and Raman
    cross sections (if the coefficients have been properly calculated),
    from the dynamical matrix produced by ph.x
- PH/q2r.x: calculates Interatomic Force Constants (IFC) in real space
    from dynamical matrices produced by ph.x on a regular q-grid 
- PH/matdyn.x: produces phonon frequencies at a generic wave vector
    using the IFC file calculated by q2r.x; may also calculate phonon DOS, 
    the electron-phonon coefficient  , the function , the function F( F( ) )
- PH/lambda.x: also calculates  and and F( F( )
,
   plus Tc
 for  superconductivity using the McMillan formula )
,
   plus Tc
 for  superconductivity using the McMillan formula
- PH/fqha.x: a simple code to calculate vibrational entropy with
   the quasi-harmonic approximation
- D3/d3.x:
  calculates anharmonic phonon lifetimes (third-order derivatives
  of the energy), using data produced by pw.x and ph.x (USPP 
  and PAW not supported). 
- Gamma/phcg.x: 
  a version of ph.x that calculates phonons at 
 = 0
 using
  conjugate-gradient minimization of the density functional expanded to
  second-order. Only the = 0
 using
  conjugate-gradient minimization of the density functional expanded to
  second-order. Only the ( ( = 0
) point is used for Brillouin zone
  integration. It is faster and takes less memory than ph.x, but does
  not support USPP and PAW. = 0
) point is used for Brillouin zone
  integration. It is faster and takes less memory than ph.x, but does
  not support USPP and PAW.
Links to the main QUANTUM ESPRESSO bin/ directory are automatically generated.
 
 
 
 
 
 
 
  
 Next: 4 Using PHonon
 Up: 3 Installation
 Previous: 3 Installation
     Contents 
Layla Martin-Samos Colomer
2012-11-21