Incorrect K-point correspondance

[amolina]

Dear all,

I have found a problem when I read the el-ph files with ypp_ph.

It seems that ypp_ph has problems to read the s.dph# files if I use certain precission in the k-points, when I generate them with pw.x.

For instance, if I use 5 decimal places without a zero at the end, ypp_ph will crash showing this message:
K = 0.44444 0.22222 0.0
PW(ELPH) databases ...[PHONON] ...incorrect K-point correspondance.

However, if use 4 decimal places with a zero at the end, like that
K = 0.44440 0.22220 0.0
ypp_ph is happy and reads the s.dph# files without problems.

Just in case somebody has this problem, take care of this...

Cheers,

Alejandro.

[faozan]

Dear Dr. Alejandro and Yambo Developers,

I have a problem in calculating electron-phonon coupling on system with polarized spin/LSDA (nspin = 2). DFT and ph.x calculation on the system are finished well, I faced difficulties in running ypp_ph, there is always an error message "PW(ELPH) databases ...[PHONON] ...incorrect K-point correspondance" like in your case, I have followed your suggestion to change decimal precision on Kpoint, but the same problem still arose.
However, if use non-polarized approah (nspin = 1), everything running well; unfortunately I got the wrong electronic structure.
Could you please to give me any suggestion how to perform electron-phonon calculation on the top of LSDA?
thank you

Best regards,
Faozan

[Davide Sangalli]

Ciao Alejandro,
can you open an issue on github related to this ?

Best,
D.