[Wien] BoltzTrap

[Gerhard Fecher]

The link was from the original paper, seems CPC changed the server
go to http://cpc.cs.qub.ac.uk/
and use ADXU as Catalogue Id, this should open the summary and download page for BoltzTrap

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Ramkumar Thapa [r.k.thapa at gmail.com]
Gesendet: Mittwoch, 18. Mai 2011 03:33
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] BoltzTrap

Sorry, the URL is wrong. It showed error.
R.K.Thapa

On Mon, May 16, 2011 at 12:07 PM, Gerhard Fecher <fecher at uni-mainz.de<mailto:fecher at uni-mainz.de>> wrote:
Boltztrap is not a part of Wien2k and it seems that the Link on the Unsupported software page does not point to Boltztrap anymore.

You may download it alternatively from Computer Physics Communications Code: ADXU
(see Computer Physics Communications 175 (2006) 67–71)
Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADXU_v1_0


Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at<mailto:wien-bounces at zeus.theochem.tuwien.ac.at> [wien-bounces at zeus.theochem.tuwien.ac.at<mailto:wien-bounces at zeus.theochem.tuwien.ac.at>]&quot; im Auftrag von &quot;Ramkumar Thapa [r.k.thapa at gmail.com<mailto:r.k.thapa at gmail.com>]
Gesendet: Montag, 16. Mai 2011 06:03
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] BoltzTrap

Der users of wien2k, can BoltzTranp code be downloaded by registered users.

2011/5/15 Mojtaba Zareii <smojtaba.zareii at gmail.com<mailto:smojtaba.zareii at gmail.com><mailto:smojtaba.zareii at gmail.com<mailto:smojtaba.zareii at gmail.com>>>
Hi dear WIEN2K users
I was going to use WIEN2K’s results to study the transport properties of Al by BotzTrap code . So I needed  three files, i.e. “case.struct” , “case.intrans” and “case.energy” as input files for this program.
I could create “case.struct” , “case.intrans” files properly as explained by BoltzTrap UserGuide (Readme file), but I don’t know how to create “case.energy” file.
Could you please help me with this question?
Dr.K.Parker


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