EPW-pp.py of PAW

[LiuHD]

Dear all,
One issue occurs when we calculated the phonon with PAW pseudopotential.

In /tmp/_ph0, there are additional prefix.dvscf+Number and prefix.dvscf_paw+Number, except for prefix.dvscf1 and prefix.dvscf_paw1. The same situation appears in prefix.q_Number.

For example, in the /tmp/_ph0/,
prefix.dvscf1 prefix.dvscf31 prefix.dvscf_paw1 prefix.dvscf_paw31 prefix.phsave prefix.q_13 prefix.q_17 prefix.q_3 prefix.q_7
prefix.dvscf13 prefix.dvscf37 prefix.dvscf_paw13 prefix.dvscf_paw37 prefix.q_10 prefix.q_14 prefix.q_18 prefix.q_4 prefix.q_8
prefix.dvscf19 prefix.dvscf43 prefix.dvscf_paw19 prefix.dvscf_paw43 prefix.q_11 prefix.q_15 prefix.q_19 prefix.q_5 prefix.q_9
prefix.dvscf25 prefix.dvscf7 prefix.dvscf_paw25 prefix.dvscf_paw7 prefix.q_12 prefix.q_16 prefix.q_2 prefix.q_6

Why there are many additional paper, prefix.dvscf13/prefix.dvscf_paw19? Maybe a bug? Who has ever miss such problem?

Sincerely,
LiuHD

[hlee]

Dear LiuHD:

Yes, in previous versions of QE, there are many redundant files with zero size. I fixed this issue in QE v7.0. s

Well, I don't recommend to use PAW or USPP with EPW; rigorously speaking, some symmetry relation is broken in that cases. Use NCPP instead.

Sincerely,

H. Lee

[LiuHD]

Thank you very much. It is nice useful for us. Thanks again.

[LiuHD]

Moreover, there is an another question that which symmetry is borken, time or space symmetry?