[Pw_forum] Is there a small tools to sum the pdos of selectedatoms?
vega
vegalew at hotmail.com
Wed Sep 17 13:24:57 CEST 2008
Thanks, I'll check it.
=================================================================================
Vega Lew (weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
From: lan haiping
Sent: Wednesday, September 17, 2008 7:21 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] Is there a small tools to sum the pdos of selectedatoms?
Just take a look at $QE/PP,
you can find some routines.
On Wed, Sep 17, 2008 at 4:33 PM, vega <vegalew at hotmail.com> wrote:
Dear all,
There is a lot of atoms in my system. I want to sum the pdos of selected atoms. But doing this by hand is quite boring.
I know there is a lot of small tools in QE for various purposes. But I can't find them. Is there a list or description about them?
Where is the list?
thank you for reading
vega
=================================================================================
Vega Lew (weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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--
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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