*** FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST ***

------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: postahc.x / PHonon / Quantum ESPRESSO (version: 6.7GPU)
------------------------------------------------------------------------


Purpose of postahc.x:

- Read the electron-phonon quantities calculated by ph.x with the
electron_phonon='ahc' option.

- Calculate the phonon-induced electron self-energy in the full matrix form
at a given temperature.

Structure of the input data:
========================================================================

&INPUT
   ...specs of namelist variables...
/



========================================================================
NAMELIST: &INPUT

   +--------------------------------------------------------------------
   Variable:       ahc_dir
   
   Type:           CHARACTER
   Status:         REQUIRED
   Description:    Directory where the binary files are located.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       nk
   
   Type:           INTEGER
   Status:         REQUIRED
   Description:    Number of k points. Must be identical to that of the preceding SCF or NSCF run.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       nbnd
   
   Type:           INTEGER
   Status:         REQUIRED
   Description:    Number of bands. Must be identical to nbnd of the preceding SCF or NSCF run.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       nat
   
   Type:           INTEGER
   Status:         REQUIRED
   Description:    Number of atoms. Must be identical to nat of the preceding pw.x and ph.x
                   runs.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       nq
   
   Type:           INTEGER
   Status:         REQUIRED
   Description:    Number of q points. Must be identical to that of the preceding ph.x run
                   with electron_phonon='ahc'.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       ahc_nbnd
   
   Type:           INTEGER
   Status:         REQUIRED
   Description:    Number of bands for which the electron self-energy is to be computed. Must be
                   identical to ahc_nbnd of the ph.x run with electron_phonon='ahc'.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       ahc_nbndskip
   
   Type:           INTEGER
   Default:        0
   Description:    Number of bands to exclude when computing the self-energy. Must be identical to
                   ahc_nbndskip of the ph.x run with electron_phonon='ahc'.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       flvec
   
   Type:           CHARACTER
   Status:         REQUIRED
   Description:    File containing the normalized phonon displacements written by matdyn.x.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       eta
   
   Type:           REAL
   Status:         REQUIRED
   Description:    Magnitude of the small imaginary component included to smooth the energy
                   denominators, in Ry.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       temp_kelvin
   
   Type:           REAL
   Status:         REQUIRED
   Description:    Temperature in Kelvins at which the electron self-energy is calculated.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       efermi
   
   Type:           REAL
   Status:         REQUIRED
   Description:    Fermi energy of the electrons in Ry.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       amass_amu(i), i=1,nat
   
   Type:           REAL
   Status:         REQUIRED
   Description:    Mass for each atom in atomic mass unit. In postahc.x, "amass_amu" must be
                   set for each atom, not for each atom type as in other programs.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       skip_upperfan
   
   Type:           LOGICAL
   Default:        .false.
   Description:    If .true., skip calculation of the upper Fan self-energy.
                   If .false., ahc_upfan_iq#.bin files must be present in "ahc_dir".
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       skip_dw
   
   Type:           LOGICAL
   Default:        .false.
   Description:    If .true., skip calculation of the Debye-Waller self-energy.
                   If .false., ahc_dw.bin file must be present in "ahc_dir".
   +--------------------------------------------------------------------
   
===END OF NAMELIST======================================================


This file has been created by helpdoc utility on Thu Apr 22 16:23:23 CEST 2021