Dear QE users, I am trying to obtain DOS for one of my systems. For the DOS, I first ran a scf calculation followed by a nscf calculation having a denser k-points grid. In the nscf calculation, my prefix in the &Control namelist got changed by mistake. As a result, in my tmp folder, i have two folders corresponding to the two prefixes. Now, I am confused about what prefix to use in the input file for dos.x. Should I run the nscf calculation again with the same prefix as in scf or is there a better way to correct my mistake?
Thanks Mitul Mundra Final Year Dual Degree Student Department of Chemical Engineering IIT Kanpur -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140623/80617845/attachment.html
