| prefix |
STRING |
| Status: |
MANDATORY
|
the first part of the name of all the file written by the code
should be equal to the value given in the main calculations.
|
| outdir |
STRING |
| Default: |
"./"
|
the scratch directory where the massive data-files are written
|
| pseudo_dir |
STRING |
| Default: |
"./"
|
directory containing pseudopotential (PP) files
|
| psfile(i), i=1,ntyp |
STRING |
| Default: |
(empty string)
|
files containing i-th pseudopotential, where i=1, ntyp.
PP numbering must follow the ordering defined in the input of pw.x
|
| single_file |
LOGICAL |
| Default: |
.FALSE.
|
if .TRUE. one-file output is produced
|
| ascii |
LOGICAL |
| Default: |
.FALSE.
|
if .TRUE. output files are textual, otherwise they are partly binary.
|
| pp_file |
STRING |
| Default: |
"prefix.export/"
|
Output file.
If it is omitted, a directory "prefix.export/" is created
in outdir and some output files are put there. Anyway all the data
are accessible through the "prefix.export/index.xml" file which
contains implicit pointers to all the other files in the
export directory. If reading is done by the IOTK library
all data appear to be in index.xml even if physically it is not.
|
| uspp_spsi |
LOGICAL |
| Default: |
.FALSE.
|
when using USPP, if set .TRUE. the code writes S | psi >
and | psi > vectors separately in the output file.
|
|
|