EPW Forum

Hi Sabya Thanks for your reply, Now I am doing the precise calculation, I try to add SOC in this calculation And I set the SOC parameter in scf.in noncolin=.true.,lspinorb=.true. Also changed the epw input file as below epw &inputepw prefix = 'insb' amass(1) = 114.818 amass(2) = 121.76 outdir = './'...

Hi Sabya

Thanks for your reply, may I ask what q-grid I need increase? both ph.in （nq1=2,nq2=2,nq3=2） and nq1 nq2 nq3 in epw.in?

Best

Yao

Dear there Nowadays I would like to use epw to calculate the linewidth for phonon. I tried to calculate the material of In5Sb3. I tried to use Quantum Espresso to plot the phonon first, the input files are attached ! generated by QEtk 2023-06-08 07:37:20 UTC+8 &CONTROL title='Compound 2:bulk:(In 5)(...

thanks for your reply!

Dear there I would like to ask a question about the part of 'Solve anisotropic Eliashberg equations', nowadays I would like to use EPW to predict the Tc for CeH10 at 400Gpa, everything goes well for scf/ph/nscf calculation. But when EPW finishes writing .ephmat files and starts solving anisotropic E...