On Wed, 2020-03-11 at 13:52 +0000, De Gary, Alban wrote: > Dear users and devlopers, > > I am trying to determine cohesive Energy of Urea. > I created inputs for a bulk (according to cif file)
The structure of the bulk urea along with the corresponding pw.x input file is also available from here: https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/blob/master/Day-2/example2.vc-relax/pw.urea.vc-relax.in Best regards, Tone -- Jožef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax: +386-1-251-9385) _______________________________________________ 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
