/abinit_tutorial/Psps_for_tests/

12 directories 187 files
List Grid
Name
Size Modified
Up
DensityAtom_pw/
DensityCore_pw/
Pseudodojo_nc_fr_04_pbe_standard_psp8/
Pseudodojo_nc_sr_04_pbe_standard_psp8/
Pseudodojo_nc_sr_04_pw_largecore_psp8/
Pseudodojo_nc_sr_04_pw_standard_psp8/
Pseudodojo_paw_pbe_standard/
Pseudodojo_paw_pw_standard/
Pseudodojo_paw_pw_stringent/
PseudosGTH_pwteter/
PseudosHGH_pwteter/
PseudosTM_pwteter/
01h.bare
328 B
01h.bare2
328 B
01H.revPBEx.fhi
14 KiB
01h_WC.fhi
84 KiB
02he.bare
328 B
02he.fakesmooth
328 B
02He.revPBEx.fhi
27 KiB
03-Li.psp
199 KiB
03li.pspfhi
87 KiB
05b.soft_tm
46 KiB
08_O_r_LDA_1012_m.psp8
110 KiB
08o-gga.paw
187 KiB
08o.6.blyp.hgh
599 B
08o.6.bp.hgh
599 B
08o.6.olyp.hgh
599 B
08o_001023.pspfhi
95 KiB
09-F.psp
199 KiB
13_Al_atom.psml
131 KiB
13_Al_oncv.psml
85 KiB
13_Al_psml.psp8
285 KiB
13al.981214.fhi
99 KiB
13al.psppos
107 KiB
13alpos.psppos
74 KiB
14-Si.nlcc.fhi
205 KiB
14-Si.nlcc.UPF
137 KiB
14_Si_atom.psml
132 KiB
14_Si_oncv.psml
85 KiB
14_Si_psml.psp8
285 KiB
14si.bj_noNLCC.psp
479 KiB
14si.Doug_mod
348 KiB
14si.fhi
99 KiB
14si.Hamann_mod
102 KiB
14si.phoney_mod
105 KiB
14si.psp
448 KiB
14Si_pade-q4
702 B
14si_WC.fhi
265 KiB
15-P.LDA.fhi
134 KiB
18ar.revpbe
107 KiB
1h.atompaw
1.1 MiB
1h.atompaw.wvl
1.1 MiB
1h.paw
66 KiB
20ca.paw
205 KiB
20ca_sic.drh
108 KiB
22ti.12.khgh
1.1 KiB
22ti.psp_mod
348 KiB
23v.paw
1.0 MiB
24cr.000107.fhi
146 KiB
26_Fe_atom.psml
162 KiB
26_Fe_oncv.psml
85 KiB
26_Fe_psml.psp8
285 KiB
26fe.lda2.paw
583 KiB
26fe.num.paw
379 KiB
26fe.paw
308 KiB
28ni-gga.paw
557 KiB
28ni.paw
225 KiB
2he_ca_30t.psp
28 KiB
31-Ga.LDA.fhi
141 KiB
31ga.SGS_mod
43 KiB
31Ga_LDA_abinit
451 KiB
32ge.SJ_mod
19 KiB
32ge_lda.fhi
71 KiB
33as.drh
358 KiB
33as.SGS_mod
36 KiB
33As_LDA_abinit
432 KiB
38sr.paw
580 KiB
40zr.971106_mod
348 KiB
41nb.pspfhi
108 KiB
41nb_001023.pspfhi
108 KiB
50sn.paw
814 KiB
51Sb_pbe-q5
1.2 KiB
56ba.psp_mod
348 KiB
57la.drh
458 KiB
58ce.paw
371 KiB
6-C.fhi
54 KiB
64gd.paw
356 KiB
6c_lda.paw
182 KiB
70yb.pho
134 KiB
73ta.tm_so
219 KiB
77Ir.GGA.fhi
151 KiB
78_Pt_r.oncvpsp.psp8
356 KiB
78pt.18.khgh
1.7 KiB
79_Au_atom.psml
154 KiB
79_Au_oncv.psml
94 KiB
7n.1s.psp_mod
199 KiB
7n.paw
199 KiB
82pb.960808c_mod
497 KiB
83bi.paw
811 KiB
83bi_halfso.psphgh
612 B
8o.2.paw
267 KiB
8o.paw
149 KiB
8o.phoney_mod
60 KiB
8o.psp_mod
199 KiB
8o_hard.paw
202 KiB
8o_sic.drh
190 KiB
Al-psval.psp8
259 KiB
Al.GGA-PBE-paw.abinit
191 KiB
Al.GGA-PBE-paw.abinit.xml
204 KiB
Al.GGA-PBE-paw.abinit_kj.xml
191 KiB
Al.GGA-PBE-paw.abinit_vb.xml
191 KiB
Al.GGA-PBE-rpaw-2.00.abinit
191 KiB
Al.GGA-PBE.xml
240 KiB
Al.gga.uspp.paw
227 KiB
Al.gga.uspp.paw.corewf
121 KiB
Al.GGA_PBE-Atompaw3.1-paw.xml
585 KiB
Al.LDA
181 KiB
Al.LDA-PW-paw.xml
646 KiB
al_ps.abinit.paw
190 KiB
As-psval.psp8
259 KiB
As.fhi
106 KiB
As.GGA-PBE-rpaw-2.10.abinit
427 KiB
As.GGA_PBE-JTH_sp.xml
682 KiB
As.LDA_PW-JTH_sp.xml
682 KiB
As.psp8
414 KiB
As_ps.abinit.paw
226 KiB
as_ps.paw
199 KiB
As_r.psp8
441 KiB
au.hpc.paw
545 KiB
Au.lda.atompaw
545 KiB
B-q3
624 B
ba_ps.abinit.paw
348 KiB
C-q4
599 B
C.atompaw.wvl
342 KiB
C.GGA_X_PBE+GGA_C_PBE-paw.xml
404 KiB
C.LDA_PW-JTH.xml
243 KiB
c.pbe.fhi
179 KiB
C.psp8
234 KiB
C_paw_pw_2proj.xml
621 KiB
C_paw_pw_6proj.xml
1.2 MiB
Cl.GGA-PBE-paw.abinit
410 KiB
CORE_si_ps.736.lda
144 KiB
Cu_LDA_abinit
736 KiB
cu_ps.736.lda
316 KiB
dummy_atom
310 B
Eu_GGA_20e_8p_xc0.pawps
619 KiB
Eu_GGA_27e_10p.pawps
762 KiB
f.fhi
96 KiB
F.noRSO.rc1.4.pawps
164 KiB
Fe-paw-abinit.xml
362 KiB
Ga-low_r.psp8
466 KiB
Ga.psp8
414 KiB
H-LDA-uspp.paw
92 KiB
H-q1
314 B
h.fhi
26 KiB
H.LDA-PW-paw.abinit
273 KiB
H.psp8
61 KiB
H4.GGA_X_PBE+GGA_C_PBE-paw.xml
466 KiB
He-GGA.psp8
146 KiB
I.GGA-PBE-paw.abinit
429 KiB
in_ps.abinit.paw
601 KiB
Li.LDA-PW-paw.abinit
508 KiB
li.PBE.atompaw.paw
142 KiB
Mg-sp-gw.psp8
89 KiB
Mn-sp-r_LDA_1012_dojov0.4.psp8
404 KiB
Na.noRSO.9e.pawps
160 KiB
Ni-psval-icmod3.psp8
255 KiB
Ni.GGA-PBE-paw.bloechl.xml
423 KiB
Ni.GGA-PBE-paw.rrkj.xml
424 KiB
O-GGA-PBE-rpaw-1.41.abinit
519 KiB
O-GGA.psp8
277 KiB
O-r_LDA_1012_dojov0.4.psp8
367 KiB
O.atompaw.wvl
492 KiB
O.GGA-PBE-rpaw-1.45.abinit
309 KiB
O.GGA_X_PBE_SOL+GGA_C_PBE_SOL-paw.abinit
309 KiB
o.hpc.paw
731 KiB
O.psp8
236 KiB
O_GGA-rc12_xc0.paw
306 KiB
o_ps.736.lda
184 KiB
o_ps.736.pbe
184 KiB
O_without_nlcc.psp8
194 KiB
Pb_abi_LDA_1012.psp8
259 KiB
Pt-sp_r.psp8
356 KiB
Si-GGA.psp8
287 KiB
Si-LDA.paw
615 KiB
Si.GGA-PBE-rpaw-1.55.abinit
268 KiB
Si.GGA_X_PBE_SOL+GGA_C_PBE_SOL-paw.abinit
268 KiB
Si_GGA_noNLCC.psp8
207 KiB
Si_KJ_mod.xml
955 KiB
Si_paw_pw_12el.corewf.xml
144 KiB
Si_paw_pw_12el.xml
1.2 MiB
si_ps.736.lda
229 KiB
si_ps.736.pbe
229 KiB
Si_r.psp8
377 KiB
Si_without_nlcc.psp8
207 KiB
Sn-GGA-PBE-rpaw-2.70.abinit
700 KiB
ti.hpc.paw
776 KiB
Ti_abi_LDA_1012.psp8
259 KiB
u.hpc.paw
1.0 MiB