scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
quantum-espresso/test-suite/not_epw_comp
History
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
..
README Rename folder 2018-05-08 22:12:47 +01:00
do_phonon.f90 Miss to comment the call to elph_simple 2019-11-18 14:40:20 +01:00
elphon.f90 Add ph.x test for trans = .false. 2020-03-20 21:17:56 +00:00
epw1.in Update EPW/examples/diamond/epw/epw.in, EPW/examples/diamond/epw/epw2.in, EPW/examples/diamond/epw/epw3.in, EPW/examples/gan/epw/epw.in, EPW/examples/mgb2/epw/epw.in, EPW/examples/sic/epw/epw.in, EPW/src/dvqpsi.f90, test-suite/epw_base/epw.in, test-suite/epw_base/epw1.in, test-suite/epw_base/epw10.in, test-suite/epw_base/epw2.in, test-suite/epw_base/epw3.in, test-suite/epw_base/epw4.in, test-suite/epw_base/epw5.in, test-suite/epw_base/epw6.in, test-suite/epw_base/epw7.in, test-suite/epw_base/epw8.in, test-suite/epw_base/epw9.in, test-suite/epw_mob/epw1.in, test-suite/epw_mob/epw2.in, test-suite/epw_mob/epw3.in, test-suite/epw_mob/epw4.in, test-suite/epw_mob_ibte/epw1.in, test-suite/epw_mob_ibte/epw2.in, test-suite/epw_mob_ibte/epw3.in, test-suite/epw_mob_ibte_sym/epw1.in, test-suite/epw_mob_ibte_sym/epw2.in, test-suite/epw_mob_ibte_sym/epw3.in, test-suite/epw_mob_ibte_sym/epw4.in, test-suite/epw_mob_ibte_sym/epw5.in, test-suite/epw_mob_ibte_sym/epw6.in, test-suite/epw_mob_ibte_sym/epw7.in, test-suite/epw_mob_ibte_sym/epw8.in, test-suite/epw_pl/epw1.in, test-suite/epw_polar/epw1.in, test-suite/epw_polar/epw2.in, test-suite/epw_polar/epw3.in, test-suite/epw_super/epw1.in, test-suite/epw_super/epw2.in, test-suite/epw_trev/epw1.in, test-suite/epw_trev_uspp/epw1.in, test-suite/not_epw_comp/epw1.in, test-suite/not_epw_scdm/epw1.in, test-suite/not_epw_scdm/epw2.in, test-suite/not_epw_scdm/epw3.in files 2020-02-13 22:20:45 +00:00
grid.py Rename folder 2018-05-08 22:12:47 +01:00
nscf_epw.in Rename folder 2018-05-08 22:12:47 +01:00
ph-ref.in Rename folder 2018-05-08 22:12:47 +01:00
ph.in Rename folder 2018-05-08 22:12:47 +01:00
phq_readin.f90 First compiling version of QE with initial "pseudolib" in upflib/. 2020-04-25 19:13:15 +00:00
pp.py Rename folder 2018-05-08 22:12:47 +01:00
scf.in Rename folder 2018-05-08 22:12:47 +01:00
scf_epw.in Rename folder 2018-05-08 22:12:47 +01:00
symdyn_munu.f90 Rename folder 2018-05-08 22:12:47 +01:00

README 

# This is a test to compare matrix elements produced directly by DFPT inside the PH code
# and matrix elements interpolated by EPW (S. Ponce and C. Verdi)

1) You need to copy the 3 src file onto PH to print the matrix elements
cp elphon.f90 phq_readin.f90 do_phonon.f90 symdyn_munu.f90 ../../../../PHonon/PH/

2) When you run ph-ref.in it will produce the data for the second k-points (k=2). 
You need to run the test in sequential.

3) Run EPW with prtgkk (run in seq. for safety)

You can compare the results.