NGsBlkXd (Ry or RL)

[jmmorbec]

Hello.

Could someone, please, let me know how to convert Ry in RL (and RL in Ry), in the input variable NGsBlkXd? For example, NGsBlkXd = 25 Ry in RL.

Thank you!

[Daniele Varsano]

Dear Juliana,
you can look at the conversion in the r_setup file. You have there the conversion RL/mHa.

Code: Select all

Shells, format: [S#] G_RL(mHa)

This is reported for the first and last shells. Running a setup yambo -i -V RL, you can set the MaxGvecs variable and look in the report the corresponding conversion.

Best,
Daniele

[jmmorbec]

Thank you very much, Daniele, for your reply.