Spin-polarized calculation with progress/bml

[chliu1990]

Hi,

When I try to run LATTE with progress/BML library for a spin-polarized calculation, I got warning messgae "This is using the original LATTE routine. Spin-polarized non yet with PROGRESS/BML". Attached are the input files I have tried.

latte.default.in.txt
latte.pulay.in.txt

[cnegre]

I will work on this issue. This is saying that the routines to build the density matrix (DM) that the code is using are the ones that are implemented in the LATTE code. No progress routines are used to build the DM (when SPINON=1). This is not a bug and the code should be working fine. The performance are not affected either.