EPW Forum

Dear Nandan, Everytime you change the number of cpu, you need to redo the nscf.in calculation. So you would need to do mpiexec -np 64 pw.x -npool 64 < nscf.in > nscf.out mpiexec -np 64 epw.x -npool 64 < epw.in > epw.out If you did that, then it might be a compilation issue. Which mpi lib are you usi...

Hello Derek,

The hanging for the 6x6x6 suggests memory issue.
Could you try with the input flag:



If that does not work, I will try to debug it this weekend using intel 13.1.3 + impi.

Best,

Samuel

Dear eliephys78,

Thank you for the information. I've modify the code in the trunk of QE.

I would recommend to update, if possible, your compiler to more recent version (like gcc 4.9.3 or so).

Best,

Samuel

Dear Derek, The code should clearly not produce NAN because of a coarse grid. However, since you seem to have an issue, may I suggest that you to try to run the example as is. It should take a few hours. If the problem persists, there might be a compilation issue or a bug in the code. If it works, y...

Dear eliephys78, This is quite interesting. I never had this bug before. Could you tell me which compiler you are using (exact version) ? In the meantime I suppose the bug for that compiler could be corrected with: open the "setphases.f90" and remove line 188 From: IF (iverbosity.eq.1) wri...

Hello Giovanni,

Thank you for your remark.
I will try to call the w90 functions directly or at least to re-align with the code as you suggested.

Best,

Samuel

Hello Giovanni and Marco, I will try to reply to your two questions: 1) It seems that plotting the g^2 seems to be a demanded feature. I will implement something with an input variable in the near future. In the meantime, if you want to print the electron-phonon matrix elements, you will need to hac...

Dear eliephys78, I strongly suggest you to use the latest EPW-4 version. For example, time reversal symmetry was not working in EPW-3. If you really want to stick to EPW3, you can go around that by explicitly computing the -q points with the ph code. If this is the issue, the technical explanation i...

Dear eliephys78,

Are you using the latest EPW version?
The EPW available in QE 5.4.0 is the latest one.

I notice that you have for example 'epf_mem = .true.' which is not a valid EPW input variable anymore.

See http://epw.org.uk/Documentation/Inputs for a list of input variables.

Best,

Samuel

Hello, In you epw.in file you should put 28 cartesian 0.00000 0.00000 0.00000 1.0 0.00000 0.00000 0.02564 1.0 0.00000 0.00000 0.05128 1.0 0.00000 0.00000 -0.07692 1.0 0.00000 0.19245 0.0000 1.0 .... The value of the weight do not matter but they have to be there.