[Pw_forum] Inconsistent q-mesh generated by ph.x and q2r.x

our help. Sokseiha Muy, Electrochemical Energy Laboratory, Department of Materials Science and Engineering, MIT. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140811/4f9a3817/attachment.html

[Pw_forum] Quick question about wannier90

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[Pw_forum] problems with running Quantum Espresso in parallel

Dear Torstein, the only StarCluster I am aware of is the stuff related to Amazon Elastic Cloud. Did you run the configure on the remote VM? Can you send me the config.log under install/ ? F On Apr 17, 2014, at 11:41 AM, torstein.fjermestad at unito.it wrote: > > I recently installed QE on a v

[Pw_forum] Hyperfine calculations - Extrapolation of spin density

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[Pw_forum] getting polarization due to electric field

y Carnegie Institution of Washington 5251 Broad Branch Road, N.W. Washington, DC 20015-1305 Tel.: 1.240.476.3993 E-mail: jnossa at carnegiescience.edu -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140811/e2fefd

[Pw_forum] Point Charges for Molecular Dynamics

On Sun, Aug 10, 2014 at 11:46 PM, Kevin Schmidt wrote: > Hello PWSCF Forum, > > First time caller, long time listener. I am working with a group using > Quantum Espresso to extract two-body interatomic potentials (IP) for an > ionic crystal system (metal borides, to be exact). These potentials w