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quantum-espresso/GWW/bse
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giannozz 1b072fbc4f First compiling version of QE with initial "pseudolib" in upflib/. 
Most of the changes consist in small updates to Makefile and make.depend and
in the replacement of module "parameters" with "upf_params" whenever variables
lmaxx and lqmax are USEd. Routine "read_pseudo" moved back to Modules/;
"simpsn" moved to upflib/; a copy of "matches" temporarily added to upflib/

Note that everything compiles (except EPW) but nothing has been tested yet!
 		2020-04-25 19:13:15 +00:00
..
Makefile First compiling version of QE with initial "pseudolib" in upflib/. 2020-04-25 19:13:15 +00:00
absorption.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
bse_basic_structure.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
bse_main.f90 Out-of-bound error when converting (tot,magn) to (up,down) rho. 2019-06-05 19:46:10 +00:00
bse_wannier.f90 Cleaning of output file, default values for input file. 2016-07-06 13:02:52 +00:00
cgsolve.f90 More removal of unused references to DDOT 2020-01-09 15:33:14 +00:00
check_basis.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
conj_grad_stuff.f90 Removal of ctrl-M - many many changes but nothing really happening 2016-12-21 16:15:04 +00:00
conjgrad.f90 Removal of ctrl-M - many many changes but nothing really happening 2016-12-21 16:15:04 +00:00
contract_w_exc.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
diago_exc.f90 Added support for SOC calulations 2016-06-07 13:39:53 +00:00
direct_v_exc.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
direct_w_exc.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
dvpsi_bse.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
exc_h_a.f90 Cleaning of output file, default values for input file. 2016-07-06 13:02:52 +00:00
exchange_exc.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
exciton.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
find_eig.f90 Added options for real time evolution 2016-07-21 09:30:11 +00:00
h_h.f90 Variables iunigk and igk deleted from global variables. Beware: may break some 2016-08-07 13:33:29 +00:00
lanczos.f90 Added options for real time evolution 2016-07-21 09:30:11 +00:00
make.depend First compiling version of QE with initial "pseudolib" in upflib/. 2020-04-25 19:13:15 +00:00
openfil_bse.f90 twfcollect variable deleted. It is still mentioned here and there, still written 2019-01-26 18:26:16 +01:00
plot_excwfn.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
print_bse.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
print_spectrum.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
qpcorrections.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
qpe_exc.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
read_export.f90 Cleanup: removal of usnused reference to node number (nd_nmbr) 2020-03-04 18:00:00 +01:00
rotate_wannier.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
sdescent.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
spectrum.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
start_bse.f90 ifdef preprocessor macro refactoring (GWW) 2016-09-18 15:13:03 +00:00
tmp.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
transitions.f90 Fortran files of new GWL BSE code. 2016-03-21 11:09:18 +00:00
tspace.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
write_wannier_matrix.f90 Cleaning of output file, default values for input file. 2016-07-06 13:02:52 +00:00