[Pw_forum] Problem in obtaining DOS

Mitul Mundra mitulm at iitk.ac.in
Mon Jun 23 07:41:05 CEST 2014


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
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