These files can be used for adding Chebyshev propagator in the RT-TDDFT module of the NWChem software. To set it up transfer all the files from the corresponding folders to the same folders in nwchem/src/nwdft/rt_tddft i.e (i) Trnasfer rt_tddft_cs_prop.F from closedshell folder to nwchem/src/nwdft/rt_tddft/closedshell/ (ii) Trnasfer rt_tddft_os_prop.F from openshell folder to nwchem/src/nwdft/rt_tddft/openshell/ (iii) Trnasfer GNUmakefile prop_chebyshev_poly.F, prop_cheb.F from propagation folder to nwchem/src/nwdft/rt_tddft/propagation/ (iv) Transfer rt_tddft_input.F from input folder to nwchem/src/nwdft/rt_tddft/input/ (v) Transfer rt_tddft_header.F from header folder to nwchem/src/nwdft/rt_tddft/header (vi) Transfer matutils.F from header folder to nwchem/src/nwdft/rt_tddft/matutils (vii) Compile again To use Chebyshev propagator, use "Propagator Chebyshev" keyword in the rt_tddft section. Please contact chemsghosh@gmail.com for any suggestions and questions. # nwchem_rttdft_chebyshev