[Wien] BoltzTraP transport properties

[karima Physique]

If you run a parallel calculation, you must first lunch the command:
gather_energy.pl

2017-07-21 3:35 GMT+02:00 Lagoun brahim <b.lagoun at lagh-univ.dz>:

> hallo every one
>
> i am doing a  transport properties calculation with (wien2k14.2+BoltzTraP
> 1.2.5) code but when i execute: x_trans BoltzTrP with or without the flags:
> (-up or -dn or -so) i have the following error message:
> x_trans BoltzTraP
>  ================ BoltzTraP vs 1.2.5 =============
>  LiFePO42
>
>   XXXXXXXX
> forrtl: severe (24): end-of-file during read, unit 48, file
> /home/LiFePO42/LiFePO42.engre
> Image              PC                Routine            Line
> Source
> BoltzTraP          000000000058BFBA  Unknown               Unknown  Unknown
> BoltzTraP          000000000058AB35  Unknown               Unknown  Unknown
> BoltzTraP          00000000004BAC26  Unknown               Unknown  Unknown
> BoltzTraP          00000000004776E6  Unknown               Unknown  Unknown
> BoltzTraP          0000000000476E59  Unknown               Unknown  Unknown
> BoltzTraP          0000000000497EA4  Unknown               Unknown  Unknown
> BoltzTraP          00000000004084C3  bandstructure_mp_         133
> m_bandstructure.F90
> BoltzTraP          00000000004126DA  MAIN__                    266
> BoltzTraP.F90
> BoltzTraP          0000000000404A5C  Unknown               Unknown  Unknown
> libc.so.6          00002AC5C7439B05  Unknown               Unknown  Unknown
> BoltzTraP          0000000000404959  Unknown               Unknown  Unknown
> 0.019u 0.006s 0:00.02 50.0%     0+0k 0+8io 0pf+0w
>
>
> i use ifort compiler + mkl libraries (the same think when i compile the
> code with gfortran compiler with blas and lapack)
> any suggestion
> the tests work very well
> thank you in advance
>
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