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beauty:2020:tasks [2020/12/10 16:45] – [Upgrading the pseudopotentials in tutorials] Xavier Gonzebeauty:2020:tasks [2020/12/20 12:06] (current) – [Assignment list] Marc Torrent
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-^ Filename                 ^ Assignement         ^ Pseudos ^ Comments ? ^ Done ?       ^ +^ Filename                 ^ Assignement         ^ Pseudos ^ Comments ? ^ 
-^ ^    ^ CURRENT ^  ^ (Y=YES) ^ +^ ^    ^ CURRENT ^  ^ 
-^ ^   ^ ^ ^ ^ +| base1.md | XGonze | PseudosGTH_pwteter/01h.pspgth |  | 
-| base1.md | XGonze | PseudosGTH_pwteter/01h.pspgth |  |  | +| base2.md | XGonze | PseudosGTH_pwteter/01h.pspgth |  | 
-| base2.md | XGonze | PseudosGTH_pwteter/01h.pspgth |  |  | +| base3.md | MCote | PseudosTM_pwteter/14si.pspnc |  | 
-| base3.md | MCote | PseudosTM_pwteter/14si.pspnc |  |  | +| base4.md | MCote | 13al.981214.fhi |  | 
-| base4.md | MCote | 13al.981214.fhi |  |  | +| basepar.md | BGuster | PseudosHGH_pwteter/82pb.4.hgh |  | 
-| basepar.md | BGuster | PseudosHGH_pwteter/82pb.4.hgh |  |  | +|   |   | PseudosHGH_pwteter/26fe.8.hgh |  | 
-|   |   | PseudosHGH_pwteter/26fe.8.hgh |  |  | +| bse.md | Wei Chen | PseudosTM_pwteter/14si.pspnc |  | 
-| bse.md | Wei Chen | PseudosTM_pwteter/14si.pspnc |  |  | +| depes.md | SPonce | PseudosTM_pwteter/6c.pspnc |  | 
-| depes.md | SPonce | PseudosTM_pwteter/6c.pspnc |  |  | +| dftu.md | BAmadon | <color green>Already from Pseudodojo</color> |  | 
-| dftu.md | BAmadon | <color green>Already from Pseudodojo</color> |  |  | +| dmft.md (tutoparal) | OGingras | 8o.paw |  | 
-| dmft.md (tutoparal) | OGingras | 8o.paw |  |  | +|  |  | 8o.2.paw |  | 
-|  |  | 8o.2.paw |  |  | +|  |  | 23v.paw |  | 
-|  |  | 23v.paw |  |  | +|  |  | 38sr.paw |  | 
-|  |  | 38sr.paw |  |  | +| elastic.md | BvTroeye | PseudosTM_pwteter/13al.pspnc |  | 
-| elastic.md | BvTroeye | PseudosTM_pwteter/13al.pspnc |  |  | +|   |   | PseudosTM_pwteter/33as.pspnc |  | 
-|   |   | PseudosTM_pwteter/33as.pspnc |  |  | +| eph.md | MVerstra | 13al.981214.fhi |  | 
-| eph.md | MVerstra | 13al.981214.fhi |  |  | +| eph4isotc.md | MGiantomassi| PseudosTM_pwteter/12mg.pspnc |  | 
-| eph4isotc.md | MGiantomassi| PseudosTM_pwteter/12mg.pspnc |  |  | +|  |  | 05b.soft_tm |  | 
-|  |  | 05b.soft_tm |  |  | +| eph4mob.md | MGiantomassi | 13al.981214.fhi |  | 
-| eph4mob.md | MGiantomassi | 13al.981214.fhi |  |  | +|  |  | PseudosTM_pwteter/33as.pspnc |  | 
-|  |  | PseudosTM_pwteter/33as.pspnc |  |  | +| eph4zpr.md |MGiantomassi |  |  | 
-| eph4zpr.md |MGiantomassi |  |  |  | +| eph_intro.md |MGiantomassi |  |  | 
-| eph_intro.md |MGiantomassi |  |  |  | +| ffield.md | JZwanziger | PseudosTM_pwteter/13al.pspnc |  | 
-| ffield.md | JZwanziger | PseudosTM_pwteter/13al.pspnc |  |  | +|  |  | PseudosTM_pwteter/33as.pspnc |  | 
-|  |  | PseudosTM_pwteter/33as.pspnc |  |  | +| fold2bloch.md | BvTroeye | H-LDA-uspp.paw |  | 
-| fold2bloch.md | BvTroeye | H-LDA-uspp.paw |  |  | +| gw1.md | FBruneval | PseudosTM_pwteter/14si.pspnc |  | 
-| gw1.md | FBruneval | PseudosTM_pwteter/14si.pspnc |  |  | +| gw2.md | FBruneval | 13al.981214.fhi |  | 
-| gw2.md | FBruneval | 13al.981214.fhi |  |  | +| <color green>lattice_model.md</color> | MSchmitt | <color green>(no pseudos in multibinit)</color> |  | 
-| <color green>lattice_model.md</color> | MSchmitt | <color green>(no pseudos in multibinit)</color> |  |  | +| longwave (no md yet) |  | 14si.fhi |  | 
-| longwave (no md yet) |  | 14si.fhi |  |  | +|  |  | 31-Ga.LDA.fhi |  | 
-|  |  | 31-Ga.LDA.fhi |  |  | +|  |  | 15-P.LDA.fhi |  | 
-|  |  | 15-P.LDA.fhi |  |  | +| nlo.md | LBaguet | PseudosTM_pwteter/13al.pspnc |  |
-| nlo.md | LBaguet | PseudosTM_pwteter/13al.pspnc |  |  |+
 |  |  | PseudosTM_pwteter/33as.pspnc | |  |  | PseudosTM_pwteter/33as.pspnc |
-| nuc.md | JZwanziger | Si.GGA-PBE-rpaw-1.55.abinit | <color green>Not to be changed !</color> | | +| nuc.md | JZwanziger | Si.GGA-PBE-rpaw-1.55.abinit | <color green>Not to be changed !</color> | 
-|  |  | O.GGA-PBE-rpaw-1.45.abinit | <color green>Not to be changed !</color> |  | +|  |  | O.GGA-PBE-rpaw-1.45.abinit | <color green>Not to be changed !</color> | 
-|  |  | O-GGA-PBE-rpaw-1.41.abinit | <color green>Not to be changed !</color> |  | +|  |  | O-GGA-PBE-rpaw-1.41.abinit | <color green>Not to be changed !</color> | 
-|  |  | Sn-GGA-PBE-rpaw-2.70.abinit | <color green>Not to be changed !</color> |  | +|  |  | Sn-GGA-PBE-rpaw-2.70.abinit | <color green>Not to be changed !</color> | 
-| optic.md | FGoudreault | PseudosTM_pwteter/31ga.pspnc |  |  |+| optic.md | FGoudreault | PseudosTM_pwteter/31ga.pspnc |  |
 |  |  | PseudosTM_pwteter/33as.pspnc | |  |  | PseudosTM_pwteter/33as.pspnc |
-| paral_dfpt.md | XGonze | 56ba.psp_mod |  |  | +| paral_dfpt.md | XGonze | 56ba.psp_mod |  | 
-| | | 22ti.psp_mod | |  | +| | | 22ti.psp_mod | | 
-| | | 8o.psp_mod | |  | +| | | 8o.psp_mod | | 
-| paral_gspw.md | JBieder | PseudosTM_pwteter/79au.pspnc |  |  | +| paral_gspw.md | JBieder | PseudosTM_pwteter/79au.pspnc |  | 
-| paral_gswvl.md | MTorrent | B-q3 |  |  | +| paral_gswvl.md | MTorrent | B-q3 | | 
-|  |  | C-q4 |  |  | +|  |  | C-q4 | | 
-|  |  | H-q1 |  |  | +|  |  | H-q1 | | 
-| paral_images.md | JBieder |  |  |  | +| paral_images.md | JBieder |  |  | 
-| paral_mbt.md | Wei Chen | PseudosTM_pwteter/14si.pspnc |  |  | +| paral_mbt.md | Wei Chen | PseudosTM_pwteter/14si.pspnc |  | 
-| | | PseudosTM_pwteter/8o.pspnc | | | +| | | PseudosTM_pwteter/8o.pspnc | | 
-| paral_moldyn.md | JBieder | PseudosTM_pwteter/13al.pspnc |  |  | +| paral_moldyn.md | JBieder | PseudosTM_pwteter/13al.pspnc |  | 
-| paw1.md | MTorrent | PseudosTM_pwteter/6c.pspnc |  |  | +| paw1.md | MTorrent | PseudosTM_pwteter/6c.pspnc |  | 
-|  |  | C.LDA_PW-JTH.xml |  |  | +|  |  | C.LDA_PW-JTH.xml |  | 
-| paw2.md | MTorrent | Ni.GGA-PBE-paw.bloechl.xml | <color green>Not to be changed !</color> |  | +| paw2.md | MTorrent | Ni.GGA-PBE-paw.bloechl.xml | <color green>Not to be changed !</color> | 
-|  |  | Ni.GGA-PBE-paw.rrkj.xml | <color green>Not to be changed !</color> | | +|  |  | Ni.GGA-PBE-paw.rrkj.xml | <color green>Not to be changed !</color> | 
-| paw3.md | MTorrent |  |  |  | +| paw3.md | MTorrent |  |  | 
-| positron.md | MTorrent | Si.LDA-PW-paw.abinit | <color green>Not to be changed !</color> |   | +| positron.md | MTorrent | Si.LDA-PW-paw.abinit | <color blue>Replaced by pseudo dojo !</color> | 
-|  |  | Si.12el.LDA-PW-paw.abinit | <color green>Not to be changed !</color> |  | +|  |  | Si.12el.LDA-PW-paw.abinit | <color green>Not to be changed !</color> | 
-| rf1.md | ONadeau | 13al.981214.fhi |  |  | +| rf1.md | ONadeau | 13al.981214.fhi |  | 
-|  |  | PseudosTM_pwteter/33as.pspnc |  |  | +|  |  | PseudosTM_pwteter/33as.pspnc |  | 
-| rf2.md | ONadeau | 13al.981214.fhi |  |  | +| rf2.md | ONadeau | 13al.981214.fhi |  | 
-|  |  | PseudosTM_pwteter/33as.pspnc |  |  | +|  |  | PseudosTM_pwteter/33as.pspnc |  | 
-| spin.md | EBousquet | PseudosTM_pwteter/26fe.pspnc |  |  | +| spin.md | EBousquet | PseudosTM_pwteter/26fe.pspnc |  | 
-|  |  | PseudosHGH_pwteter/73ta.13.hgh |  |  | +|  |  | PseudosHGH_pwteter/73ta.13.hgh |  | 
-|  |  | 83bi.paw |  |  | +|  |  | 83bi.paw |  | 
-| <color green>spin_model.md</color> | HeXu | <color green>(no pseudos in multibinit)</color> |  |  | +| <color green>spin_model.md</color> | HeXu | <color green>(no pseudos in multibinit)</color> |  | 
-| string (see paral_images) | | 8o_hard.paw | | | +| string (see paral_images) | | 8o_hard.paw | | 
-| | | 7n.paw | | | +| | | 7n.paw | | 
-| | | 1h.paw | | | +| | | 1h.paw | | 
-| tddft.md | XGonze | PseudosHGH_pwteter/7n.5.hgh |  |  | +| tddft.md | XGonze | PseudosHGH_pwteter/7n.5.hgh |  | 
-| ucalc_crpa.md | ROuterovich  | 38sr.paw |  |  | +| ucalc_crpa.md | ROuterovich  | 38sr.paw |  | 
-|  |  | 23v.paw |  |  | +|  |  | 23v.paw |  | 
-|  |  | 8o.paw |  |  | +|  |  | 8o.paw |  | 
-| udet.md | BAmadon | <color green>Already from Pseudodojo</color> |  |  | +| udet.md | BAmadon | <color green>Already from Pseudodojo</color> |  | 
-| wannier90.md | BAmadon | PseudosTM_pwteter/14si.pspnc |  |  | +| wannier90.md | BAmadon | PseudosTM_pwteter/14si.pspnc |  | 
-|  |  | Si-LDA.paw |  |  | +|  |  | Si-LDA.paw |  | 
-|  |  | PseudosTM_pwteter/1h.pspnc |  |  | +|  |  | PseudosTM_pwteter/1h.pspnc |  | 
-^ ^ ^ ^ ^ ^+^ ^ ^ ^ ^
 ==== Tentative translation table, from current to new pseudopotentials ==== ==== Tentative translation table, from current to new pseudopotentials ====
  
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 | O.GGA-PBE-rpaw-1.45.abinit   | 6 |  |  |  | <color green>Not to be changed !</color> | | O.GGA-PBE-rpaw-1.45.abinit   | 6 |  |  |  | <color green>Not to be changed !</color> |
 | Si-LDA.paw   | 4 | Pseudodojo_paw_pw*/Si.xml| 4 | 10 |  | | Si-LDA.paw   | 4 | Pseudodojo_paw_pw*/Si.xml| 4 | 10 |  |
-| Si.LDA-PW-paw.abinit   | 4 |  |  |  | <color green>Not to be changed !</color> | +| Si.LDA-PW-paw.abinit   | 4 | Pseudodojo_paw_pw*/Si.xml |  |  | <color blue>MT changed it!</color> | 
-| Si.12el.LDA-PW-paw.abinit    | 12 | |   |  | <color green>Not to be changed !</color> |+| Si.12el.LDA-PW-paw.abinit    | 12 | <color blue>Re-generated from Pseudodojo_paw_pw*/Si.xml (just adding 8 el)!</color>|   |  |  |
 | Si.GGA-PBE-rpaw-1.55.abinit   | 4 | |   |  | <color green>Not to be changed !</color> | | Si.GGA-PBE-rpaw-1.55.abinit   | 4 | |   |  | <color green>Not to be changed !</color> |
 | Ni.GGA-PBE-paw.bloechl.xml   | 10 | |   |  |<color green>Not to be changed !</color> | | Ni.GGA-PBE-paw.bloechl.xml   | 10 | |   |  |<color green>Not to be changed !</color> |
 | Ni.GGA-PBE-paw.rrkj.xml    | 10   | |   |  |<color green>Not to be changed !</color> | | Ni.GGA-PBE-paw.rrkj.xml    | 10   | |   |  |<color green>Not to be changed !</color> |
 | Sn-GGA-PBE-rpaw-2.70.abinit   | 4 |  |  |  | <color green>Not to be changed !</color>| | Sn-GGA-PBE-rpaw-2.70.abinit   | 4 |  |  |  | <color green>Not to be changed !</color>|
beauty/2020/tasks.1607615155.txt.gz · Last modified: 2020/12/10 16:45 by Xavier Gonze