EPW Forum

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

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

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

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