[QE-users] wavefunctions file

Offermans Willem willem.offermans at vito.be
Mon Mar 16 11:00:21 CET 2020


The following is from ``https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm93``:<https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm93%60%60:>

<snip>
wf_collect LOGICAL
Default: .TRUE.
This flag controls the way wavefunctions are stored to disk :

.TRUE.  collect wavefunctions from all processors, store them
        into the output data directory "outdir"/"prefix".save
        The resulting format is portable to a different number
        of processor, or different kind of parallelization

.FALSE. OBSOLETE - NO LONGER IMPLEMENTED
        do not collect wavefunctions, leave them in temporary
        local files (one per processor). The resulting format
        is readable only on the same number of processors and
        with the same kind of parallelization used to write it.

Note that this flag has no effect on reading, only on writing.
</snip>

Can someone disclose the name of the file in which the
wavefunctions are stored?





Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

Willem.Offermans at Vito.be<mailto:Willem.Offermans at Vito.be>

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