[Pw_forum] question about DOS-projection
cj4566 at gmail.com
Thu Oct 11 03:02:35 CEST 2012
Dear QE users,
I'm a new user and I got two questions about pwscf calculation. Could
someone help me out?
First one is about the DOS of particular part of a slab model. I know how
to do DOS for the whole slab system, but how can I get the DOS for like the
middle part of a slab? Is there any example?
Second question is about average.x. I wanted to calculate the planar
average of electrostatic potential and I did it in the same way shown QE
examples. I run pp.x first and then average.x. However, the job didn't move
forward and showed following message:
Info: using nr1, nr2, nr3 values from input
Info: using nr1s, nr2s, nr3s values from input
filplot = 'ZnO-new.pot'
*Jin Chang* | School of Chemistry, Physics & Mechanical Engineering |
Queensland University of Technology | GPO Box 2434 | Brisbane QLD 4001 |
AUSTRALIA | CRICOS No. 00213J | Phone: +61 0430244227 | Email:
jin.chang at student.qut.edu.au<https://outlook.qut.edu.au/OWA/redir.aspx?C=dd0074882fd549aba790b5f9eda2cdfb&URL=mailto%3ajin.chang%40student.qut.edu.au>
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