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wannier-developers / wannier-tutorials

A repository hosting materials used during Wannier-related tutorials and schools
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Wannier90 - not creating all files for TRIQS #18

Open AQuantumGuy opened 2 years ago

AQuantumGuy commented 2 years ago

Hi everyone, I am trying to follow the tutorial "/2022_05_trieste/DAY3_AM_TRIQS/" I want to try the framework Quantum Espresso + Wannier90 + TRIQS. The problem is, after I successfully run my calculations with QE and W90, I tried to setup the code for TRIQS. The problem is right at the beginning, when I try to compare QE dos with W90 dos, I cannot do that because W90 has not created the DOS file for me. In the W90 input file I have stated "dos = true" (like in the example), but it doesn't create any file for it.

I tried going beyond that and I found out that the software haven't created my .inp file as well. Also, I tried to compare my W90 bands with QE bands, and it only shows QE bands in the plot and not the W90 one.

Could someone tell me why this happens and how to fix it? Just to confirm, I do not get errors when I complete the W90 calculations for which I run three codes to "wannier90.x -pp FILENAME" then "pw2wannier90.x < FILENAME > FILENAME and then wannier90.x FILENAME. These are the only three codes I run the W90 simulation.