quantum-espresso

History

Hyungjun Lee 7119555466 clean-up		2021-06-24 16:44:13 -05:00
..
Makefile	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
README	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
do_phonon2.f90	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
epw1.in	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
grid.py	Convert to Python3 and minor improvements	2020-09-23 23:50:24 +09:00
make.depend	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
nscf_epw.in	Rename folder	2018-05-08 22:12:47 +01:00
ph-ref.in	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
ph.in	Rename folder	2018-05-08 22:12:47 +01:00
phonon2.f90	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
phq_readin2.f90	Hyungjun's contributions 2&3 of 3	2021-06-07 17:24:42 +02:00
pp.py	Convert to Python3 and minor improvements	2020-09-23 23:50:24 +09:00
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
supp.f90	clean-up	2021-06-24 16:44:13 -05:00

README

# This is a test to compare matrix elements produced directly by DFPT inside the PH code
# and matrix elements interpolated by EPW (Rewritten by H. Lee based on the previous version by S. Ponce and C. Verdi)

1) Issue "make" after compiling pw.x and ph.x.

2) Run EPW with prtgkk.

You can compare the results.