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quantum-espresso
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5 Commits

Author SHA1 Message Date
Samuel Ponce 7524ce1483 Modify the Si psp for the USPP test in EPW. 
Indeed the Si psp was a NC psp and not USPP.
Now both are USPP.
 2019-07-18 11:32:42 +01:00
Samuel Ponce 8b3b1b713c Update the uspp test since USPP only works 
with vme == .true. now.
 2019-07-17 12:16:25 +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 1172a7d20d Disable qwindow when doing Superconductivity 
Also disable the epw test on USPP for now.
Lower tolerence for HOMO/LUMO relative accuracy
 2019-01-18 19:11:35 +00:00
Samuel Ponce 818d55e440 USPP support for EPW 
Ultrasoft support for EPW + various cleaning.
Addition of a new uspp test.

- Roxana Margine and Samuel Ponce
 2019-01-17 18:25:37 +00:00