[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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