[Pw_forum] Saving charge density file

Ridwan Agbaoye agbaoyeridwan at yahoo.com
Wed Jan 4 06:31:22 CET 2017


Dear HedgeI will advise that you post your nscf input file too to enable us look at both input files for possible solutionsBut still make sure both scf and nscf are in the same directory by checking the "outdir" in their input files and also make sure they have the same "prefix" then rerun both calculations 
I believe that will work 
Agbaoye Ridwan OlamideCMP_NETWORK UNAABFederal university of Agriculture Abeokuta Nigeria

Sent from Yahoo Mail on Android 
 
  On Tue, Jan 3, 2017 at 17:48, Manu Hegde<mhegde at uwaterloo.ca> wrote:   Hello QE  Users,
Happy new year.
I am getting this unusual error after SCF run, while I am trying to run NSCF calculations, it was able to read the charge density file. However, when I was trying to run the band structure calculations, it was shown that,
"Cannot read rho : file not found"

What is the reason?. I am using QE 5.4.0. I have attached my input file as well for SCF calculations. Is something missing in my input file?. I never had this problem before.
Manu Hegde
University of Waterloo


_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170104/619cb883/attachment.html>


More information about the users mailing list