Ordinary magnetoresistance calculations

[Vineet Sharma]

Dear WannierTools users,

This is Vineet, a new user of this code. I have run one example case for ordinary magnetoresistance. I have few queries as:

1. Once, the calculations is finished, it displays the DGESV failed. Is there any problem with some lapack library which need to be fixed. But, the calculations are finished without any error.
2.  In rho_xx_xx.dat files, the unit of resistivity is scaled by relaxation time which is shown in picosecond. Shall i approximate it in picosecond to check the absolute value of resistivity as experimental value is not reported for system. Kindly look into my problem and help me to clear my doubts.  Your valuable suggestions are highly appreciated.

[Brook]

Dear Vincent,

Welcome to the WannierTools.

 

Q1.  Once, the calculations is finished, it displays the DGESV failed. Is there any problem with some lapack library which need to be fixed. But, the calculations are finished without any error.

A1. It’s a strange problem. I never meet it before. Could you please tell me which compiler do you use? It’s better to post your makefile here.

 

Q2.  In rho_xx_xx.dat files, the unit of resistivity is scaled by relaxation time which is shown in picosecond. Shall i approximate it in picosecond to check the absolute value of resistivity as experimental value is not reported for system. Kindly look into my problem and help me to clear my doubts.  Your valuable suggestions are highly appreciated.

First, rho_xx_xx.dat is only for one band. If you want to get the total resistivity, you have to do a inverse of the total conductivity which is the summation of  the sigma over all bands. Please download the latest stable version https://github.com/quanshengwu/wannier_tools/releases/tag/V2.5.1 instead of the develop branch since there are bugs in the unit.

You can set it to be 1 ps if you only care about the scaling behavior. Actually, the relaxation time could be calculated if you compare with the experiments.

[Author]

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