[Wien] BoltzTraP transport properties

Lagoun brahim b.lagoun at lagh-univ.dz
Fri Jul 21 03:35:03 CEST 2017


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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