On Mon, Mar 16, 2020 at 11:00 AM Offermans Willem <[email protected]> wrote:
> Can someone disclose the name of the file in which the wavefunctions are > stored? > "disclose" is not the appropriate verb: the name of wavefunction files is not a secret. Admittedly, it is not easy to find it in the documentation. Anyway: for N k-points there are N files wfc1.dat, wfc2.dat, ... wfcN.dat. If using HDF5, .dat => .hdf5 Paolo > 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 > > [email protected] > > > Indien u VITO Mol bezoekt, hou aub er dan rekening mee dat de hoofdingang > voortaan enkel bereikbaar is vanuit de richting Dessel-Retie, niet vanuit > richting Mol, zie vito.be/route. <http://www.vito.be/route> > If you plan to visit VITO at Mol, then please note that the main entrance > can only be reached coming from Dessel-Retie and no longer coming from Mol, > see vito.be/en/contact/locations. > <http://www.vito.be/en/contact/locations> > VITO Disclaimer: http://www.vito.be/e-maildisclaimer > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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