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40 Commits

Author SHA1 Message Date
Samuel Ponce 88b6e8fde1 Update reference tests. 2022-11-19 14:43:20 +01:00
Samuel Ponce cd88f74634 Update test-suite to remove kmaps 
Add nr max to  rgd_blk_der + cleaning.
 2021-06-08 10:33:47 +02:00
Samuel Ponce 1d3e0cc9f5 Various modifications 
1) Add degeneracy treatment to dmewan2bloch to mirror the one done in vmewan2bloch

2) change the vme input from logical to CHARACTER with value 'dipole' and 'wannier'.

3) Upgrade version number of EPW to v5.4b

4) Add a warning to user when using system_2d input
 2021-06-03 13:12:38 +02:00
Flaviano José dos Santos 64c8cc60c5 Update epw test-suite for compatibility with new Fermi energy protocol 2021-02-06 05:47:16 +01:00
zx199323 8a3ce6f7e8 Merge branch 'develop' into temperatures 2020-07-10 14:55:56 -04:00
Hyungjun Lee c5c36bd443 bug fix and clean-up 2020-07-09 19:46:18 -05:00
zx199323 988d6a965d inputs in test-suite updated except for supercond 2020-07-08 11:38:13 -07:00
Paolo Giannozzi ccf6890992 More test-suite tweaking 2020-06-07 16:06:35 +00:00
Paolo Giannozzi 16ec17ddba [skip-CI] More test fiddling to avoid bogus failures 2020-06-06 16:51:01 +00:00
Hyungjun Lee 5fd6c942d3 Removal of some inputs 2020-04-22 20:17:10 -05:00
Hyungjun Lee bf56db0f18 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
Samuel Ponce 7fa17c7337 Update the reference file accordingly 2019-11-20 16:13:26 +01:00
Samuel Ponce e67c9e9dd9 Change the default vme == .false. to .true. 2019-09-21 17:09:48 +01:00
Samuel Ponce 52696c802b Removal of the input variable filukk. 
Change a davcio to read_wf.
 2019-05-15 11:47:50 +01:00
Samuel Ponce 596a87185d Modifiction to pp.py script and phonon self-energy 
- Removal of the xml conversion from the pp.py script
- Creation of a separate pp-xml.py script
- Change of sign in the retarded phonon self-energy to match with the
correct Eq. 145 from RMP 89, 015003 (2017)
 2019-03-29 17:51:05 +00:00
Samuel Ponce 2c50695f38 Move the EPW test-suite pseudo 
From the pp directory to q-e/pseudo directory.
 2019-01-13 17:07:10 +00:00
Samuel Ponce 4a67ed5942 Addition of a pseudo directory to test-suite. 2019-01-13 13:27:26 +00:00
Samuel Ponce 145fc74df1 Select q-point extension to random grids. 
Also modification of the pp.py script to be able to convert dyn file from
text to XML format. Courtesy of Shunhong Zhang.
 2018-11-17 16:45:36 +00:00
Samuel Ponce 1cf7322507 Update epw test-farm 
(see previous commit).
 2018-10-11 16:05:38 +01:00
Paolo Giannozzi 232a2fbe57 Reference to SVN in the names of test-suite benchmark files and in the 
developer manual removed. Maybe it would be preferrable to have benchmarks
from a given reference version?
 2018-07-18 15:15:46 +02:00
Samuel Ponce 66eed22682 Change -\tau to +\tau for wigner_g 
Update EPW test-farm.
 2018-07-03 15:19:16 +01:00
Samuel Poncé 9c5d745d2c Update on the phonon averaging on modes. 2018-07-01 18:54:26 +01:00
Samuel Poncé e8644a483b Average on lambda and gamma when phonon freq are degenerate. 2018-07-01 17:26:20 +01:00
Samuel Poncé 8cb97b078b Missing one test. 2018-07-01 16:32:57 +01:00
Samuel Ponce a9916f8da2 Removal of parallel_k and parallel_q flags. 
parallel_q was not used and lead to large code duplications.
 2018-05-04 17:41:45 +01:00
Samuel Ponce ab8244e14a Debug when etf_mem==2 
Update the EPW test-suite for mobility and new pp.py script.
 2018-03-27 18:16:18 +01:00
sponce dbe9dd6d72 Removal of the weights in the input of EPW 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13830 c92efa57-630b-4861-b058-cf58834340f0
 2017-09-05 09:02:20 +00:00
sponce c99f3bde29 This should solve 3 EPW tests that are not passing 
on the test-farm. 


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13696 c92efa57-630b-4861-b058-cf58834340f0
 2017-08-07 10:30:56 +00:00
sponce fc7d8f0791 Update of some reference for the new format. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13627 c92efa57-630b-4861-b058-cf58834340f0
 2017-07-25 12:50:37 +00:00
sponce 87a8fd6d8a Revert to previous reference file due to adjustement to symmetry matrix made in r13265. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13442 c92efa57-630b-4861-b058-cf58834340f0
 2017-03-28 10:46:15 +00:00
sponce 46849aa37a Changed 0.000000 to 0.0000001 in the benchmark to avoid infinite relative differences. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13385 c92efa57-630b-4861-b058-cf58834340f0
 2017-03-07 10:03:47 +00:00
spigafi cab03890b1 Regenerating all test-suite reference outputs (last time before move it into an external repo) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13285 c92efa57-630b-4861-b058-cf58834340f0
 2017-02-05 21:19:46 +00:00
sponce 9154e65f6b Update of the test farm following removal of some epw input variables. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12741 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-14 10:39:09 +00:00
sponce 421b37a2b4 The test farm is adapted to the lambda_tr with phonon self-energy. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12737 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-13 15:14:22 +00:00
sponce 8e1dbc842a Removal of the input variable tshuffle2. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12678 c92efa57-630b-4861-b058-cf58834340f0
 2016-08-07 17:15:47 +00:00
sponce 4a00c0368b Update references for the test farm. Add data for the epw_metal tests as accuracte calculations 
require ph that should be converge enough.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12614 c92efa57-630b-4861-b058-cf58834340f0
 2016-07-25 16:38:24 +00:00
sponce 4243627f3b - Change of benchmark reference 
- Change of tolerance for EPW tests
- Debug of testcode.py:
Popen.wait() creates deadlock if the data is too large
My workaround is to attach stdin to a null device and then
to append the lines to a tuple. 
Then to convert the tuple into strings. 
This way we avoid OS buffer size limit of the pipe.
The buffer for pipe cannot be changed (max 64). 
Better solution is welcome. 



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12604 c92efa57-630b-4861-b058-cf58834340f0
 2016-07-22 18:41:41 +00:00
sponce 1c7227ed7c Tolerence adjustement of the test suite and addition of compare epw_all 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12599 c92efa57-630b-4861-b058-cf58834340f0
 2016-07-21 17:28:53 +00:00
sponce 0206f46919 Addition of three EPW tests: metal (Pb), spin-orbit coupling (Pb) and phonon-driven superconductivity (MgB2) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12519 c92efa57-630b-4861-b058-cf58834340f0
 2016-06-21 16:24:09 +00:00
sponce 2730a1c043 Testing of time-reversal in EPW 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12516 c92efa57-630b-4861-b058-cf58834340f0
 2016-06-21 13:48:08 +00:00