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Software to do molecular dynamics on windows The LAMMPS molecular dynamics package has a windows version. Alternatively, have you considered the Windows Subsystem for Linux (WSL) using which you can easily install linux based applications? I use the WSL daily for most of my work and can confirm that the performance degradation when compared to a native ...


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I'm posting this here as an answer so that if anyone else runs into the same problem, they can get it clarified. After searching endlessly (because the SIESTA to BoltzTraP2 interface provided by the developers failed), I figured it out by myself. What happened was a problem of the k-point output file from SIESTA not being what BoltzTraP2 expects. If you are ...


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