Dear Forum, I'm trying to carry out a calculation on bulk FCC rhodium. I'm getting (what I think) are extremely low values for the energy, -470 eV / atom. is my input correct for this type of calculation? I've attached the .in and .out.
Thank you Jack Davis -------------- next part -------------- A non-text attachment was scrubbed... Name: QE.out Type: application/octet-stream Size: 23317 bytes Desc: QE.out Url : http://pwscf.org/pipermail/pw_forum/attachments/20131016/00f677b2/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: QE.in Type: application/octet-stream Size: 783 bytes Desc: QE.in Url : http://pwscf.org/pipermail/pw_forum/attachments/20131016/00f677b2/attachment-0001.obj
