EPW Forum

Posted: **Fri Mar 08, 2019 10:07 am**

Hello,

I just read in the QE v6.4 change log that EPW now supports USPP. Are there any restrictions when using USPP (e.g. some quantities can't be calculated while others can)?
I noticed that EPW v5.0 doesn't complain if USPP are used. Does it mean that v5.0 already supports USPP?

Btw.: In ephwann:shuffle.f90 right in the beginning (line 21) is says: " !! No ultrasoft now"
I'm confused. Does EPW support USPP or not?

Or was this line left there unintentionally? Same statement is also found in createkmap.f90, ephwann_shuffle_mem.f90 and gmap_sym.f90.

Posted: **Wed Mar 13, 2019 12:12 am**

Hi,

Yes, EPW5.1 supports USPP, but it has not been extensively tested.

The lines "No ultrasoft now" should be removed from all files.

Best,
Roxana

Posted: **Wed Mar 13, 2019 11:37 am**

Dear MaxS,

Thanks for noticing those 4 comments lines.
I removed them (indeed leftover).

EPW 5.0 does not support USPP.

Best wishes,
Samuel

EPW Forum

ultrasoft pseudo potentials supported from EPW v5.1 on?

ultrasoft pseudo potentials supported from EPW v5.1 on?

Re: ultrasoft pseudo potentials supported from EPW v5.1 on?

Re: ultrasoft pseudo potentials supported from EPW v5.1 on?