| ahc_dir |
CHARACTER |
| Status: |
REQUIRED
|
Directory where the binary files are located.
|
| nk |
INTEGER |
| Status: |
REQUIRED
|
Number of k points. Must be identical to that of the preceding SCF or NSCF run.
|
| nbnd |
INTEGER |
| Status: |
REQUIRED
|
Number of bands. Must be identical to nbnd of the preceding SCF or NSCF run.
|
| nat |
INTEGER |
| Status: |
REQUIRED
|
Number of atoms. Must be identical to nat of the preceding pw.x and ph.x
runs.
|
| nq |
INTEGER |
| Status: |
REQUIRED
|
Number of q points. Must be identical to that of the preceding ph.x run
with electron_phonon='ahc'.
|
| ahc_nbnd |
INTEGER |
| Status: |
REQUIRED
|
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'.
|
| ahc_nbndskip |
INTEGER |
| Default: |
0
|
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'.
|
| flvec |
CHARACTER |
| Status: |
REQUIRED
|
File containing the normalized phonon displacements written by matdyn.x.
|
| eta |
REAL |
| Status: |
REQUIRED
|
Magnitude of the small imaginary component included to smooth the energy
denominators, in Ry.
|
| temp_kelvin |
REAL |
| Status: |
REQUIRED
|
Temperature in Kelvins at which the electron self-energy is calculated.
|
| efermi |
REAL |
| Status: |
REQUIRED
|
Fermi energy of the electrons in Ry.
|
| amass_amu(i), i=1,nat |
REAL |
| Status: |
REQUIRED
|
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.
|
| skip_upperfan |
LOGICAL |
| Default: |
.false.
|
If .true., skip calculation of the upper Fan self-energy.
If .false., ahc_upfan_iq#.bin files must be present in ahc_dir.
|
| skip_dw |
LOGICAL |
| Default: |
.false.
|
If .true., skip calculation of the Debye-Waller self-energy.
If .false., ahc_dw.bin file must be present in ahc_dir.
|
|
|