Re: [Wien] How to add BoltzTrap2 in Wien2k 19.2

Thanks Prof. for detail answer. Sent from my Samsung Galaxy smartphone. Original message From: Gavin Abo Date: 08/06/2020 10:54 am (GMT+03:00) To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] How to add BoltzTrap2 in Wien2k 19.2 BoltzTraP2 is a separate program

Re: [Wien] How to add BoltzTrap2 in Wien2k 19.2

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. 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]

[Wien] How to add BoltzTrap2 in Wien2k 19.2

Dear Prof. How to install properly BoltzTrap2 and then add it in Wien2k 19.2 version? Thanks___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: