What are individual columns stands for, in case.condtens BoltzTrap file ?

08 August 2018 1 5K Report

I'm using BoltzTrap code for studying the thermal property... i want to calculate the zT , conductivity, seeback... etc in different x.y.z directions, for that i'm using case.condtens file which usually formed after BoltzTrap job's complition. But in the *.condtens file there are many columns in there, i want to know the pattern of column. Means how they span ... like xx xy xz yx yy yz .... etc or it is different from this pattern.

Thanks

Iraj Maleki

hi Mukesh Sharma

The first three colums are like in the case.trace file.. next nine colums are the σ/τ components (3x3 tensor). These are followed by the nine Seebeck components and finally the nine κ 0 components.

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