Variables that MUST BE SPECIFIED
| fildrho |
CHARACTER |
| Default: |
' '
|
The file containing the variation of the charge
density at the q point under consideration, this
file is produced by phonon.
|
| fild0rho |
CHARACTER |
| Default: |
' '
|
The file containing the variation of the charge
density at q=0, this file is produced by phonon.
|
| amass(i), i=1,ntyp |
CHARACTER |
ionic masses [atomic mass units]
|
|
| prefix |
CHARACTER |
| Default: |
'pwscf'
|
prefix for file names
|
| outdir |
CHARACTER |
| Default: |
value of the ESPRESSO_TMPDIR environment variable if set;
current directory ('./') otherwise
|
Directory containing input, output, and scratch files;
must be the same as specified in the calculation of
the unperturbed system and for phonon calculation.
|
| fildyn |
CHARACTER |
| Default: |
'd3dyn'
|
The file where the derivative of the dynamical
matrix will be written
|
| ethr_ph |
REAL |
| Default: |
1.0d-5
|
Threshold for iterative diagonalization
(accuracy in ryd of the calculated eigenvalues).
|
| q0mode_todo(i), i=1,3*nat |
INTEGER |
| Default: |
0
|
| Status: |
q0mode_todo is statically allocated to dimension 300
|
This array contains the list of the q=0 modes that
will be computed. If q0mode_todo(1).eq.0 the
program will compute every q=0 mode.
|
| wraux |
LOGICAL |
| Default: |
.false.
|
If .true. the program will write different terms
of the matrix on different files.
|
| recv |
LOGICAL |
| Default: |
.false.
|
Specify .true. for a recover run.
|
| istop |
INTEGER |
| Default: |
0
|
If this number is set different from zero the
program will stop after the specified routine
and will write the partial result in the recover
file.
|
| iverbosity |
INTEGER |
| Default: |
0
|
type of printing ( 0 few, 1 all )
|
|
|