[Wien] BoltzTrap

[Shahid Mahmood Chaudhry]

Dear Sir


BoltzTrap2 is installed but how to import it in Wien2k with some commands???? The actual problem is this, not installation using "pip3 install BoltzTraP2" command or another one. Please tell to Wien2k users how to import it after installation and must be seen in the Tasks if I am not wrong otherwise correct this statement.


Thanks

________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gsabo at crimson.ua.edu>
Sent: Saturday, September 26, 2020 4:03:08 AM
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] BoltzTrap

If you are using Ubuntu (currently 20.04.1 LTS) [1], the download and
install can be done with one terminal command, which is:

pip3 install BoltzTraP2

If you are using another operating system distribution and the above
command does not work, then you may need to use instead:

pip install BoltzTraP2

That is also shown on the BoltzTraP website at [2].

[1] https://ubuntu.com/download/desktop
[2]
https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/



On 9/25/2020 8:23 AM, Karima Karim wrote:
> Dear user wien2k ,I want to calculated BoltzTrap transport properties  in code wien2k ,tell me  how  To download and install of BoltzTrap
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