[Pw_forum] regarding interfacing Quantum Espresso with Boltztrap code

[Nicola Marzari]

As mentioned by Stefano, this is really a question for Boltztrap.

Note that recently there has been an alternative approach implemented
that is integrated with Quantum ESPRESSO and Wannier90, and distributed
at www.wannier.org: http://arxiv.org/abs/1305.1587

				nicola


On 20/01/2014 05:51, kulwinder kaur wrote:
> hi
>
> i want to find thermoelectric properties using QE with Boltztrap code. but
>      i face some problem.
>      when i run my job under this command path of boltztrap/x_trans
> BoltzTraP
>       now this problem occur
>       ================ BoltzTraP vs 1.2.3 =============
>       COULD NOT OPEN FILE            5
>      STOP ERROR IN OPENING FILE (look in output)
>      0.000u 0.004s 0:00.00 0.0%    0+0k 0+424io 0pf+0w
>      please tell me what is problem?
>
>
> --
> Regards
> kulwinder kaur
>
>
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-- 

----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL