[QE-users] projwfc -> MOs ?

[Steven Kirk]

Hello QE users,

The documentation for projwfc indicates that that QE wavefunctions may 
be projected onto GTOs for the purposes of construction of, e.g. Lowdin 
charges.

Can the 'MOs' generated therein be output as, say, a MOLDEN-format file 
containing the equivalent GTOs?

Thanks,
Steven Kirk


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Prof. Steven R. Kirk (steven.kirk at cantab.net, suwen at hunnu.edu.cn)
100 Talents of Hunan Award Recipient
College of Chemistry and Chemical Engineering, Hunan Normal University
36 Lushan Road, Changsha 410081, Hunan Province, P.R. China
Website: http://www.beaconresearch.org
orcid.org/0000-0002-0462-6962