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Issues list

Multiple sources in a single recipe question
#20 opened May 2, 2018 by mcbennet updated May 14, 2018
Backing out of viewing ECP or basis file
#36 opened Sep 16, 2018 by mcbennet updated Sep 16, 2018
Order of items for an ECP
#49 opened Jun 5, 2019 by aannabe updated Jun 5, 2019
Current ECPs require too high of plane wave cutoff
#55 opened Nov 21, 2019 by lshulen updated Dec 6, 2019
For which atoms are new pseudopotentials needed?
#56 opened Dec 6, 2019 by prckent updated Dec 13, 2019
Update to UPF 2.0?
#64 opened Apr 16, 2021 by mcbennet updated Jun 18, 2021
Si He core upf
#66 opened Jul 14, 2021 by JMuff22 updated Jul 30, 2021
XML files and UPF files have different reference states
#69 opened Dec 3, 2021 by camelto2 updated Dec 3, 2021
Cutoff value in H.ccECP.xml
#70 opened Feb 22, 2022 by zenandrea updated Feb 23, 2022
Is the ccECP Br.upf correct?
#74 opened May 11, 2022 by zenandrea updated May 11, 2022
Gallium pseudo with 13 valence electrons
#81 opened Jul 19, 2022 by bruneval updated Jul 25, 2022
Ruthenium pseudopotential
#92 opened Sep 28, 2023 by romanfanta4 updated Oct 1, 2023
How to use "aug-cc-pVDZ-eCEPP.dat_Cu" in gaussian input?
#90 opened Apr 5, 2023 by higinojr updated Oct 10, 2023
Antimony (Sb) pseudo
#102 opened Mar 26, 2024 by gorelov93 updated Mar 27, 2024
Orbital Occupancy Discrepancies in Cu and Ag Pseudopotentials
#104 opened Apr 4, 2024 by romanfanta4 updated Apr 19, 2024
xml and upf templates for Y and Nb are missing.
#112 opened Aug 8, 2024 by Hyeondeok-Shin updated Aug 8, 2024
Votes for the next few elements
#109 opened Jun 10, 2024 by lkwagner updated Oct 25, 2024
ProTip! no:milestone will show everything without a milestone.