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<div dir="auto">Thanks Prof. for detail answer. </div>
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<div dir="auto" style="font-size:85%; color:#575757">Sent from my Samsung Galaxy smartphone.</div>
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<div>-------- Original message --------</div>
<div>From: Gavin Abo <gsabo@crimson.ua.edu> </div>
<div>Date: 08/06/2020 10:54 am (GMT+03:00) </div>
<div>To: wien@zeus.theochem.tuwien.ac.at </div>
<div>Subject: Re: [Wien] How to add BoltzTrap2 in Wien2k 19.2 </div>
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<p>BoltzTraP2 is a separate program and it reads in files (*.scf, *.struct, *.energy*) from WIEN2k 19.2. Thus, you do not need to add it to WIEN2k.</p>
<p>If you are using one of the latest Linux distributions that ships with Python 3, it is usually installed as given on the BoltzTraP2 website [1] with:</p>
<p>pip install BoltzTraP2<br>
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or (depending on your installation)<br>
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pip3 install BoltzTraP2 <br>
</p>
<p>If you are using an older Linux distribution or if you like the Anaconda environment, then conda [2] likely can be installed and BoltzTraP2 can be installed in the conda environment.</p>
<p>For BoltzTraP2, it is suggested to join the BoltzTraP mailing list given the BoltzTraP2 website [1] as question and answer posts in that Google group are searchable containing installation information and solutions to other commonly asked BoltzTraP2 questions.<br>
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<p>[1] <a class="moz-txt-link-freetext" href="https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/">
https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/</a></p>
<p>[2] <a class="moz-txt-link-freetext" href="https://www.anaconda.com/products/individual">
https://www.anaconda.com/products/individual</a></p>
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<div class="moz-cite-prefix">On 6/7/2020 8:46 PM, Shahid Ramay wrote:<br>
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<div dir="ltr">Dear Prof.</div>
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<div dir="ltr">How to install properly BoltzTrap2 and then add it in Wien2k 19.2 version?</div>
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<div dir="ltr">Thanks</div>
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