[Wien] BoltzTraP transport properties

[Lagoun brahim]

thank you Karima

I gathered the energy's  files

2017-07-21 3:41 GMT+02:00 karima Physique <physique.karima at gmail.com>:

> 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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>>
>
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