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21 Open 14 Closed
21 Open 14 Closed
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Issues list

xml and upf templates for Y and Nb are missing.
#112 opened Aug 8, 2024 by Hyeondeok-Shin
1
Votes for the next few elements
#109 opened Jun 10, 2024 by lkwagner
2
Orbital Occupancy Discrepancies in Cu and Ag Pseudopotentials
#104 opened Apr 4, 2024 by romanfanta4
3
Antimony (Sb) pseudo
#102 opened Mar 26, 2024 by gorelov93
1
How do convert a pseudopotential Cu.ccECP.xml in Cu_cpp.casino?
#93 opened Oct 9, 2023 by higinojr
2
Ruthenium pseudopotential
#92 opened Sep 28, 2023 by romanfanta4
4
How to use "aug-cc-pVDZ-eCEPP.dat_Cu" in gaussian input?
#90 opened Apr 5, 2023 by higinojr
6
Naming convention error for DFT+U calculations in QE 7.1 for Fe.ccecp-soft.upf
#89 opened Mar 7, 2023 by jptowns
2
18
Incorrect nelec in quantum chemistry-formatted "ccECP-soft" pseudopotentials
#84 opened Sep 16, 2022 by djstaros
2
Gallium pseudo with 13 valence electrons
#81 opened Jul 19, 2022 by bruneval
1
Is the ccECP Br.upf correct?
#74 opened May 11, 2022 by zenandrea
1
Cutoff value in H.ccECP.xml
#70 opened Feb 22, 2022 by zenandrea
5
XML files and UPF files have different reference states
#69 opened Dec 3, 2021 by camelto2
2
Si He core upf
#66 opened Jul 14, 2021 by JMuff22
12
Update to UPF 2.0?
#64 opened Apr 16, 2021 by mcbennet
2
For which atoms are new pseudopotentials needed?
#56 opened Dec 6, 2019 by prckent
2
Current ECPs require too high of plane wave cutoff
#55 opened Nov 21, 2019 by lshulen
1
Order of items for an ECP
#49 opened Jun 5, 2019 by aannabe
2
Backing out of viewing ECP or basis file
#36 opened Sep 16, 2018 by mcbennet
Multiple sources in a single recipe question
#20 opened May 2, 2018 by mcbennet
5
Which pseudopotential formats are most useful and should be standardized? enhancement question
#18 opened Feb 28, 2018 by prckent
3
ProTip! Exclude everything labeled bug with -label:bug.