EPW Forum

Dear All,
how genetare kpoints for nscf in crystal coordinates?

Best Regards,
Arnie

Dear All,
can you tell me what is the units of phonon DOS calculated using EPW?
On X-axis I have meV, I am confused how looks situation with Y-axis.

Thank you in advance.

Arnie

Thank you Samuel, your suggestion resolved my problem.

Best Regards,
Artur

Dear users and developers, During the epw.x running (mpirun -np 4 ../../EPW/bin/epw.x -npool 4 < epw.in > epw.out) I have the following error: *** Error in `/home/apd/qe-6.0/EPW/bin/epw.x': malloc(): memory corruption: 0x00005601669bc620 *** ======= Backtrace: ========= /lib/x86_64-linux-gnu/libc.so...

Dear Sammuel,
thank you very much for your response. You resolved all of my problems:) Now everything working OK.

Dear Samuel, thank you for your response. But I think that it isn't problem with memory. More than half of the RAM is not used during the epw calculations. On my cluster for the test calculations I have installed 64 GB of RAM. I am not using the etf_mem = false. The size of each dvscf file is 3.6 Mi...

Dear Samuel, now a have the following situation with this same issue. When I run the following calculations for phonons: scf run for 16x16x16 K_POINTS; ph run for nq1=6, nq2=6, nq3=6 and the following calculations for EPW: scf run for 8x8x8 K_POINTS; nscf run for 216 K_POINTS crystal; epw run for nk...

Dear Samuel, I have similar problem like Jaya. I tried to use the EPW v. 4.0 and 4.1. I have outdir set to './'. My calculations create prefix.wout correctly but not create al.epmatwp1 file and epw.out gives the error: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Er...

I have this same problem. In my epw.in file I have: degaussw = 0.02 ! eV nk1 = 6 nk2 = 6 nk3 = 6 nq1 = 6 nq2 = 6 nq3 = 6 nqf1 = 20 nqf2 = 20 nqf3 = 20 nkf1 = 20 nkf2 = 20 nkf3 = 20 How eliminate this error?

Dear All, I would like calculate a2F function for GaN example. I modified the epw.in file in the following way: phonselfen = .true. a2f = .true. During the calculations I received the following error: Calculating kmap and kgmap ------------------------------------------------------------------------...