Differences

This shows you the differences between two versions of the page.

--- beauty:2020:tasks [2020/12/10 16:45] – [Upgrading the pseudopotentials in tutorials] Xavier Gonze
+++ beauty:2020:tasks [2020/12/20 11:21] – [Assignment list] Marc Torrent
@@ Line 18: / Line 18: @@
-^ 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 |
-| 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 |
-| 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 | <color blue>Moved to PseudosHGH_pbe!</color> |
-|  |  | C-q4 |  |  |
+|  |  | C-q4 | <color blue>Moved to PseudosHGH_pbe!</color> |
-|  |  | H-q1 |  |  |
+|  |  | H-q1 | <color blue>Moved to PseudosHGH_pbe!</color> |
-| 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 ====
@@ Line 143: / Line 142: @@
 | 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-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> |
 | 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> |
 | Sn-GGA-PBE-rpaw-2.70.abinit   | 4 |  |  |  | <color green>Not to be changed !</color>|