How to convert renormalized 2nd order force-constant in "xml" format into shengbte supported symmetrized FORCE_CONSTANT

[sc696]

Hello everyone,

Can anyone suggest or provide a script to convert the renormalized 2nd order force-constant in "xml" format into shengbte supported symmetrized FORCE_CONSTANT format. I know that a sample script exists in #192, however that script converts the .xml file into a phonopy FORCE_CONSTANT in compact form. However, to use the same FORCE_CONSTANT in Shengbte one need the full FORCE_CONSTANT, which cannot be generated without the FORCE_SET file. Your help, therefore, is highly requested to solve this issue.

Thanks in advance.

[ttadano]

Hi,

I've described a solution to this in #192.