[Wien] error in factorization (BoltzTrap)

Gavin Abo gsabo at crimson.ua.edu
Fri May 23 21:52:36 CEST 2014


There is a discussion by VASP users of Boltztrap that the error can be 
caused by the use of repeated k-points 
[http://cms.mpi.univie.ac.at/vasp-forum/forum_viewtopic.php?4.9660.20].

So the error with Wien2k might be the same; that there may be repeated 
k-points in case.klist_band that need removed.

On 5/23/2014 6:50 AM, DibyaR Prakash wrote:
> Dear wien2k users
>
>   I am trying to calculate the transport properties of Fe2MnCrSi
>   compound. While executing BoltzTrap I encounter some error like "error
>   in factorization". May I kindly know how to solve this problem.
>
>   With regards
>   DP Rai
>   India


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