Dear Users, I have relaxed a bulk of Pd with "calculation=relax", but I get error when I change it with
"calculation=vc-relax". I added the card needed to the input. I have attached input and its output containing the error. It will be appreciated if anyone help. Regards David Foster Ph.D. Student of Chemistry -------------- next part -------------- A non-text attachment was scrubbed... Name: pd_333_ibrav14.in Type: application/octet-stream Size: 4844 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140327/31ffa905/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: pd_333_ibrav14.out Type: application/octet-stream Size: 3996 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140327/31ffa905/attachment-0001.obj
