This code is built from the original NanoGW code written by M. Tiago. New experimental features (such as interpolative separable density fitting method) are added to accelerate calculations.
Implemented the isdf method. New files include:
- isdf.f90
- cvt.f90
- k_integrate_isdf.f90.
Modified files are:
- tdlda.F90
- kernel.F90z
- calculate_tdlda.F90z
- esdf_key_module.f90
- fft_module.F90z
- input_t.f90
The ISDF part is parallelized. It requires less memory, but still not very efficient. Tests show that the CVT part (finding interpolation points) is very slow. I also added an option in utils/chkpt_bin_asc.f90 to choose static_type.
Things to be changed/optimized:
- cvt.f90
- input_s.f90, some keywords are not very clear Refer to RGWBS-new version modified by Linda
- the printed out Sigma-Vxc (in "sigma___*") is calculated at E_dft, this is confusing.