[Wien] Need help - Installation steps for BoltzTraP

[Gavin Abo]

Did you do a bandstructure calculation (i.e., x lapw1 -band [-up/-dn]) 
just before doing the BoltzTraP calculation? I think that is why the 
factorization error usually happens.  However, you need to do the 
BoltzTrap calculation directly after the scf calculation , which has no 
'-band', (i.e., x lapw1 [-up/-dn]) as Prof. Blaha mentioned before [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04261.html 
].

On 1/25/2015 3:56 AM, Murugan Sundareswari wrote:
> Hi Gavin
>
> Thank you,
>
> It helped and I am able to run Boltztrap, however I get factorization 
> error. Even as I attempt with the highest possible K points, same 
> error continues...
>
> Could you advice....