[Pw_forum] Calculation of projected denstiy of states
e kb
eminekb at yahoo.com
Thu Sep 3 11:46:32 CEST 2009
Dear Shaptrishi,I would like to help you out with your problem but I really cannot follow you..
What do you mean by your script of projwfc.x was not accepted? projwfc.x was giving errors? are you able to successfully reproduce example08 reference results?I am totally lost about renaming projwfc.x to pw.x part of your issue.Please try to be more clear. Input& output files and errors can help us to understand what is going wrong.And instead of opening a new thread with the same title in every mail, you can simply reply so ppl can follow the thread easier later in the archive.cheers,emine kucukbenli,SISSA, Italy
--- On Thu, 9/3/09, Shaptrishi Sharma <sh.shapt at gmail.com> wrote:
From: Shaptrishi Sharma <sh.shapt at gmail.com>
Subject: [Pw_forum] Calculation of projected denstiy of states
To: pw_forum at pwscf.org
Date: Thursday, September 3, 2009, 12:00 PM
Hi there,
I would like to know about the script file for calculating the
projectedd ensity of state. As previously in my script file I gave
written projwfc.x, however the programm was not accepted, thus I rename
it to pw.x. Now my programm is in queu.So I donot know whether this
time it will be accpeted or not.
Will it work for pw.x in the script file for calculating the projected density of states?
Thanks
S
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