Cannot load ONCV pseudopotential contains pseudo potentials with duplicate elements

New to AiiDA
1

Hi,
I am trying to add ONCV(quantum-simulation.org) to the pseudo-potential with the tutorial. ONCV is some norm conserving pseudo-potential like peudo-dojo.

https://aiida-pseudo.readthedocs.io/en/latest/howto.html

However, it does not work for .upf or .tar.gz file.

$ aiida-pseudo install family  ~/AiiDA/tutorial_pseudo/ONCV/sg15_oncv_upf_2020-02-06  ONCV -P pseudo.upf
Report: creating a pseudopotential family from directory `/home/yang/AiiDA/tutorial_pseudo/ONCV/sg15_oncv_upf_2020-02-06`... [FAILED]
Critical: directory `/home/yang/AiiDA/tutorial_pseudo/ONCV/sg15_oncv_upf_2020-02-06` contains pseudo potentials with duplicate elements


$ aiida-pseudo install family  quicksetup  ONCV -f gztar
Report: attempting to download data from `quicksetup`... [FAILED]
Critical: Invalid URL 'quicksetup': No scheme supplied. Perhaps you meant https://quicksetup?
(aiida_QE_VASP_YAMBO) yang@yang-Inspiron-3670:~/AiiDA/tutorial_pseudo/ONCV$ aiida-pseudo install family  ~/AiiDA/tutorial_pseudo/ONCV  ONCV -f gztar
Report: creating a pseudopotential family from directory `/home/yang/AiiDA/tutorial_pseudo/ONCV`... [FAILED]
Critical: `<class 'aiida_pseudo.data.pseudo.pseudo.PseudoPotentialData'>` constructor did not define the element and could not parse a valid element symbol from the filename `{filename}` either. It should have the format `ELEMENT.EXTENSION`

The ONCV file names look like this:

$ ls sg15_oncv_upf_2020-02-06
Ag_ONCV_PBE-1.0.upf     Co_ONCV_PBE_FR-1.0.upf  Ir_ONCV_PBE-1.0.upf     Pb_ONCV_PBE-1.2.upf     S_ONCV_PBE-1.1.upf
Ag_ONCV_PBE-1.2.upf     Cr_ONCV_PBE-1.0.upf     Ir_ONCV_PBE-1.2.upf     Pb_ONCV_PBE_FR-1.0.upf  S_ONCV_PBE-1.2.upf
Ag_ONCV_PBE_FR-1.0.upf  Cr_ONCV_PBE-1.2.upf     Ir_ONCV_PBE_FR-1.0.upf  Pd_ONCV_PBE-1.0.upf     S_ONCV_PBE_FR-1.1.upf
Al_ONCV_PBE-1.0.upf     Cr_ONCV_PBE_FR-1.0.upf  K_ONCV_PBE-1.0.upf      Pd_ONCV_PBE-1.2.upf     Sr_ONCV_PBE-1.0.upf
Al_ONCV_PBE-1.2.upf     Cs_ONCV_PBE-1.0.upf     K_ONCV_PBE-1.2.upf      Pd_ONCV_PBE_FR-1.0.upf  Sr_ONCV_PBE-1.2.upf
Al_ONCV_PBE_FR-1.0.upf  Cs_ONCV_PBE-1.1.upf     K_ONCV_PBE_FR-1.0.upf   P_ONCV_PBE-1.0.upf      Sr_ONCV_PBE_FR-1.0.upf
Ar_ONCV_PBE-1.0.upf     Cs_ONCV_PBE-1.2.upf     Kr_ONCV_PBE-1.0.upf     P_ONCV_PBE-1.1.upf      Ta_ONCV_PBE-1.0.upf
Ar_ONCV_PBE-1.1.upf     Cs_ONCV_PBE_FR-1.0.upf  Kr_ONCV_PBE-1.2.upf     P_ONCV_PBE-1.2.upf      Ta_ONCV_PBE-1.1.upf
Ar_ONCV_PBE-1.2.upf     Cu_ONCV_PBE-1.0.upf     Kr_ONCV_PBE_FR-1.0.upf  P_ONCV_PBE_FR-1.1.upf   Ta_ONCV_PBE-1.2.upf
Ar_ONCV_PBE_FR-1.1.upf  Cu_ONCV_PBE-1.2.upf     La_ONCV_PBE-1.0.upf     Pt_ONCV_PBE-1.0.upf     Ta_ONCV_PBE_FR-1.0.upf
As_ONCV_PBE-1.0.upf     Cu_ONCV_PBE_FR-1.0.upf  La_ONCV_PBE-1.2.upf     Pt_ONCV_PBE-1.2.upf     Tc_ONCV_PBE-1.0.upf
As_ONCV_PBE-1.1.upf     Fe_ONCV_PBE-1.0.upf     La_ONCV_PBE_FR-1.0.upf  Pt_ONCV_PBE_FR-1.0.upf  Tc_ONCV_PBE-1.2.upf
As_ONCV_PBE-1.2.upf     Fe_ONCV_PBE-1.2.upf     Li_ONCV_PBE-1.0.upf     Rb_ONCV_PBE-1.0.upf     Tc_ONCV_PBE_FR-1.0.upf
As_ONCV_PBE_FR-1.1.upf  Fe_ONCV_PBE_FR-1.0.upf  Li_ONCV_PBE-1.2.upf     Rb_ONCV_PBE-1.2.upf     Te_ONCV_PBE-1.0.upf
Au_ONCV_PBE-1.0.upf     F_ONCV_PBE-1.0.upf      Mg_ONCV_PBE-1.0.upf     Rb_ONCV_PBE_FR-1.0.upf  Te_ONCV_PBE-1.1.upf
Au_ONCV_PBE-1.2.upf     F_ONCV_PBE-1.2.upf      Mg_ONCV_PBE-1.2.upf     Re_ONCV_PBE-1.0.upf     Te_ONCV_PBE-1.2.upf
Au_ONCV_PBE_FR-1.0.upf  F_ONCV_PBE_FR-1.0.upf   Mg_ONCV_PBE_FR-1.0.upf  Re_ONCV_PBE-1.2.upf     Te_ONCV_PBE_FR-1.1.upf
Ba_ONCV_PBE-1.0.upf     Ga_ONCV_PBE-1.0.upf     Mn_ONCV_PBE-1.0.upf     Re_ONCV_PBE_FR-1.0.upf  Ti_ONCV_PBE-1.0.upf
Ba_ONCV_PBE-1.2.upf     Ga_ONCV_PBE-1.2.upf     Mn_ONCV_PBE-1.2.upf     Rh_ONCV_PBE-1.0.upf     Ti_ONCV_PBE-1.2.upf
Be_ONCV_PBE-1.0.upf     Ga_ONCV_PBE_FR-1.0.upf  Mn_ONCV_PBE_FR-1.0.upf  Rh_ONCV_PBE-1.2.upf     Ti_ONCV_PBE_FR-1.0.upf
Be_ONCV_PBE-1.2.upf     Ge_ONCV_PBE-1.0.upf     Mo_ONCV_PBE-1.0.upf     Rh_ONCV_PBE_FR-1.0.upf  Tl_ONCV_PBE-1.0.upf
Bi_ONCV_PBE-1.0.upf     Ge_ONCV_PBE-1.2.upf     Mo_ONCV_PBE-1.2.upf     Ru_ONCV_PBE-1.0.upf     Tl_ONCV_PBE-1.2.upf
Bi_ONCV_PBE-1.2.upf     Ge_ONCV_PBE_FR-1.0.upf  Mo_ONCV_PBE_FR-1.0.upf  Ru_ONCV_PBE-1.2.upf     Tl_ONCV_PBE_FR-1.0.upf
B_ONCV_PBE-1.0.upf      He_ONCV_PBE-1.0.upf     Na_ONCV_PBE-1.0.upf     Ru_ONCV_PBE_FR-1.0.upf  V_ONCV_PBE-1.0.upf
B_ONCV_PBE-1.2.upf      He_ONCV_PBE-1.2.upf     Na_ONCV_PBE-1.2.upf     Sb_ONCV_PBE-1.0.upf     V_ONCV_PBE-1.2.upf
B_ONCV_PBE_FR-1.0.upf   He_ONCV_PBE_FR-1.0.upf  Na_ONCV_PBE_FR-1.0.upf  Sb_ONCV_PBE-1.1.upf     V_ONCV_PBE_FR-1.0.upf
Br_ONCV_PBE-1.0.upf     Hf_ONCV_PBE-1.0.upf     Nb_ONCV_PBE-1.0.upf     Sb_ONCV_PBE-1.2.upf     W_ONCV_PBE-1.0.upf
Br_ONCV_PBE-1.2.upf     Hf_ONCV_PBE-1.1.upf     Nb_ONCV_PBE-1.2.upf     Sb_ONCV_PBE_FR-1.1.upf  W_ONCV_PBE-1.1.upf
Br_ONCV_PBE_FR-1.0.upf  Hf_ONCV_PBE-1.2.upf     Nb_ONCV_PBE_FR-1.0.upf  Sc_ONCV_PBE-1.0.upf     W_ONCV_PBE-1.2.upf
Ca_ONCV_PBE-1.0.upf     Hf_ONCV_PBE_FR-1.0.upf  Ne_ONCV_PBE-1.0.upf     Sc_ONCV_PBE-1.2.upf     W_ONCV_PBE_FR-1.0.upf
Ca_ONCV_PBE-1.2.upf     Hg_ONCV_PBE-1.0.upf     Ne_ONCV_PBE-1.2.upf     Sc_ONCV_PBE_FR-1.0.upf  Xe_ONCV_PBE-1.0.upf
Ca_ONCV_PBE_FR-1.0.upf  Hg_ONCV_PBE-1.2.upf     Ni_ONCV_PBE-1.0.upf     Se_ONCV_PBE-1.0.upf     Xe_ONCV_PBE-1.1.upf
Cd_ONCV_PBE-1.0.upf     Hg_ONCV_PBE_FR-1.0.upf  Ni_ONCV_PBE-1.2.upf     Se_ONCV_PBE-1.1.upf     Xe_ONCV_PBE-1.2.upf
Cd_ONCV_PBE-1.2.upf     H_ONCV_PBE-1.0.upf      Ni_ONCV_PBE_FR-1.0.upf  Se_ONCV_PBE-1.2.upf     Xe_ONCV_PBE_FR-1.1.upf
Cd_ONCV_PBE_FR-1.0.upf  H_ONCV_PBE-1.2.upf      N_ONCV_PBE-1.0.upf      Se_ONCV_PBE_FR-1.1.upf  Y_ONCV_PBE-1.0.upf
Cl_ONCV_PBE-1.0.upf     H_ONCV_PBE_FR-1.0.upf   N_ONCV_PBE-1.2.upf      Si_ONCV_PBE-1.0.upf     Y_ONCV_PBE-1.2.upf
Cl_ONCV_PBE-1.1.upf     In_ONCV_PBE-1.0.upf     N_ONCV_PBE_FR-1.0.upf   Si_ONCV_PBE-1.1.upf     Y_ONCV_PBE_FR-1.0.upf
Cl_ONCV_PBE-1.2.upf     In_ONCV_PBE-1.1.upf     O_ONCV_PBE-1.0.upf      Si_ONCV_PBE-1.2.upf     Zn_ONCV_PBE-1.0.upf
Cl_ONCV_PBE_FR-1.1.upf  In_ONCV_PBE-1.2.upf     O_ONCV_PBE-1.2.upf      Si_ONCV_PBE_FR-1.1.upf  Zn_ONCV_PBE-1.2.upf
C_ONCV_PBE-1.0.upf      In_ONCV_PBE_FR-1.0.upf  O_ONCV_PBE_FR-1.0.upf   Sn_ONCV_PBE-1.0.upf     Zn_ONCV_PBE_FR-1.0.upf
C_ONCV_PBE-1.2.upf      I_ONCV_PBE-1.0.upf      Os_ONCV_PBE-1.0.upf     Sn_ONCV_PBE-1.1.upf     Zr_ONCV_PBE-1.0.upf
C_ONCV_PBE_FR-1.0.upf   I_ONCV_PBE-1.1.upf      Os_ONCV_PBE-1.2.upf     Sn_ONCV_PBE-1.2.upf     Zr_ONCV_PBE-1.2.upf
Co_ONCV_PBE-1.0.upf     I_ONCV_PBE-1.2.upf      Os_ONCV_PBE_FR-1.0.upf  Sn_ONCV_PBE_FR-1.1.upf  Zr_ONCV_PBE_FR-1.0.upf
Co_ONCV_PBE-1.2.upf     I_ONCV_PBE_FR-1.1.upf   Pb_ONCV_PBE-1.0.upf     S_ONCV_PBE-1.0.upf

Ideally I want to keep the file names. If not, how should I change the file names(there are several files for one elements)?

Many thanks for that!

Sincerely,
Dr. Guoyu Yang
Lecturer
Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute
185 Yinjiang Rd.,
Jimei District, Xiamen,361021
Fujian, China
E-mail: 201961000100@jmu.edu.cn

2

Hi @AmberLEE123456

As you can see in the error message (and you also mentioned it), the problem is that the folder contains multiple versions for the pseudos for a given element. Moreover, it contains scalar-relativistic as well as fully-relativistic pseudos. Probably, you don’t want to mix them, so grouping them in different folders (and also in different pseudo families in AiiDA) might be a good idea in general.
I remember encountering something similar when I tried to install these pseudos. The following code will move the pseudos into different directories, based on the version and the type (i.e. SR or FR). It expects that the subfolders SR_1.0, FR_1.0, SR_1.1 etc. already exist in the new directory new_sg15. You would need to adapt the directories accordingly to your demands.

import os
import shutil
import re

for filename in os.listdir('./sg15'):
    # Extract element and version from filename
    el = filename.split('_')[0]
    version_match = re.search(r'-(\d+\.\d+).upf', filename)
    version = version_match.group(1)
    
    # Check if scalar relativistic or fully relativistic
    sr_fr = 'FR' if 'FR' in filename else 'SR'

    # Copies to the directories FR_1.0, SR_1.0, FR_1.1, etc.
    source_path = os.path.join('./sg15', filename)
    destination_path = os.path.join('./new_sg15', f'{sr_fr}_{version}', filename)
    shutil.copy2(source_path, destination_path)

Afterwards, you can install the pseudo families using the new subfolders, e.g. the fully-relativistic ones from version 1.0:

aiida-pseudo install family -P pseudo.upf new_sg15/FR_1.0 oncv_sg15_FR_v1.0

Since some pseudos are only present for a certain version, you might want to merge them, e.g. version 1.1 and 1.2. In that case, remember that only one pseudo per element should be present in the directory that you are trying to install.

Hope that helps.

4 Likes
3 
new_sg15$ ls *
FR_1.0:
Ag_ONCV_PBE_FR-1.0.upf  Cu_ONCV_PBE_FR-1.0.upf  K_ONCV_PBE_FR-1.0.upf   Os_ONCV_PBE_FR-1.0.upf  Tc_ONCV_PBE_FR-1.0.upf
Al_ONCV_PBE_FR-1.0.upf  Fe_ONCV_PBE_FR-1.0.upf  Kr_ONCV_PBE_FR-1.0.upf  Pb_ONCV_PBE_FR-1.0.upf  Ti_ONCV_PBE_FR-1.0.upf
Au_ONCV_PBE_FR-1.0.upf  F_ONCV_PBE_FR-1.0.upf   La_ONCV_PBE_FR-1.0.upf  Pd_ONCV_PBE_FR-1.0.upf  Tl_ONCV_PBE_FR-1.0.upf
B_ONCV_PBE_FR-1.0.upf   Ga_ONCV_PBE_FR-1.0.upf  Mg_ONCV_PBE_FR-1.0.upf  Pt_ONCV_PBE_FR-1.0.upf  V_ONCV_PBE_FR-1.0.upf
Br_ONCV_PBE_FR-1.0.upf  Ge_ONCV_PBE_FR-1.0.upf  Mn_ONCV_PBE_FR-1.0.upf  Rb_ONCV_PBE_FR-1.0.upf  W_ONCV_PBE_FR-1.0.upf
Ca_ONCV_PBE_FR-1.0.upf  He_ONCV_PBE_FR-1.0.upf  Mo_ONCV_PBE_FR-1.0.upf  Re_ONCV_PBE_FR-1.0.upf  Y_ONCV_PBE_FR-1.0.upf
Cd_ONCV_PBE_FR-1.0.upf  Hf_ONCV_PBE_FR-1.0.upf  Na_ONCV_PBE_FR-1.0.upf  Rh_ONCV_PBE_FR-1.0.upf  Zn_ONCV_PBE_FR-1.0.upf
C_ONCV_PBE_FR-1.0.upf   Hg_ONCV_PBE_FR-1.0.upf  Nb_ONCV_PBE_FR-1.0.upf  Ru_ONCV_PBE_FR-1.0.upf  Zr_ONCV_PBE_FR-1.0.upf
Co_ONCV_PBE_FR-1.0.upf  H_ONCV_PBE_FR-1.0.upf   Ni_ONCV_PBE_FR-1.0.upf  Sc_ONCV_PBE_FR-1.0.upf
Cr_ONCV_PBE_FR-1.0.upf  In_ONCV_PBE_FR-1.0.upf  N_ONCV_PBE_FR-1.0.upf   Sr_ONCV_PBE_FR-1.0.upf
Cs_ONCV_PBE_FR-1.0.upf  Ir_ONCV_PBE_FR-1.0.upf  O_ONCV_PBE_FR-1.0.upf   Ta_ONCV_PBE_FR-1.0.upf

FR_1.1:
Ar_ONCV_PBE_FR-1.1.upf  I_ONCV_PBE_FR-1.1.upf   Se_ONCV_PBE_FR-1.1.upf  S_ONCV_PBE_FR-1.1.upf
As_ONCV_PBE_FR-1.1.upf  P_ONCV_PBE_FR-1.1.upf   Si_ONCV_PBE_FR-1.1.upf  Te_ONCV_PBE_FR-1.1.upf
Cl_ONCV_PBE_FR-1.1.upf  Sb_ONCV_PBE_FR-1.1.upf  Sn_ONCV_PBE_FR-1.1.upf  Xe_ONCV_PBE_FR-1.1.upf

FR_1.2:

SR_1.0:
Ag_ONCV_PBE-1.0.upf  Cl_ONCV_PBE-1.0.upf  Hg_ONCV_PBE-1.0.upf  Na_ONCV_PBE-1.0.upf  Re_ONCV_PBE-1.0.upf  Te_ONCV_PBE-1.0.upf
Al_ONCV_PBE-1.0.upf  C_ONCV_PBE-1.0.upf   H_ONCV_PBE-1.0.upf   Nb_ONCV_PBE-1.0.upf  Rh_ONCV_PBE-1.0.upf  Ti_ONCV_PBE-1.0.upf
Ar_ONCV_PBE-1.0.upf  Co_ONCV_PBE-1.0.upf  In_ONCV_PBE-1.0.upf  Ne_ONCV_PBE-1.0.upf  Ru_ONCV_PBE-1.0.upf  Tl_ONCV_PBE-1.0.upf
As_ONCV_PBE-1.0.upf  Cr_ONCV_PBE-1.0.upf  I_ONCV_PBE-1.0.upf   Ni_ONCV_PBE-1.0.upf  Sb_ONCV_PBE-1.0.upf  V_ONCV_PBE-1.0.upf
Au_ONCV_PBE-1.0.upf  Cs_ONCV_PBE-1.0.upf  Ir_ONCV_PBE-1.0.upf  N_ONCV_PBE-1.0.upf   Sc_ONCV_PBE-1.0.upf  W_ONCV_PBE-1.0.upf
Ba_ONCV_PBE-1.0.upf  Cu_ONCV_PBE-1.0.upf  K_ONCV_PBE-1.0.upf   O_ONCV_PBE-1.0.upf   Se_ONCV_PBE-1.0.upf  Xe_ONCV_PBE-1.0.upf
Be_ONCV_PBE-1.0.upf  Fe_ONCV_PBE-1.0.upf  Kr_ONCV_PBE-1.0.upf  Os_ONCV_PBE-1.0.upf  Si_ONCV_PBE-1.0.upf  Y_ONCV_PBE-1.0.upf
Bi_ONCV_PBE-1.0.upf  F_ONCV_PBE-1.0.upf   La_ONCV_PBE-1.0.upf  Pb_ONCV_PBE-1.0.upf  Sn_ONCV_PBE-1.0.upf  Zn_ONCV_PBE-1.0.upf
B_ONCV_PBE-1.0.upf   Ga_ONCV_PBE-1.0.upf  Li_ONCV_PBE-1.0.upf  Pd_ONCV_PBE-1.0.upf  S_ONCV_PBE-1.0.upf   Zr_ONCV_PBE-1.0.upf
Br_ONCV_PBE-1.0.upf  Ge_ONCV_PBE-1.0.upf  Mg_ONCV_PBE-1.0.upf  P_ONCV_PBE-1.0.upf   Sr_ONCV_PBE-1.0.upf
Ca_ONCV_PBE-1.0.upf  He_ONCV_PBE-1.0.upf  Mn_ONCV_PBE-1.0.upf  Pt_ONCV_PBE-1.0.upf  Ta_ONCV_PBE-1.0.upf
Cd_ONCV_PBE-1.0.upf  Hf_ONCV_PBE-1.0.upf  Mo_ONCV_PBE-1.0.upf  Rb_ONCV_PBE-1.0.upf  Tc_ONCV_PBE-1.0.upf

SR_1.1:
Ar_ONCV_PBE-1.1.upf  Cs_ONCV_PBE-1.1.upf  I_ONCV_PBE-1.1.upf   Se_ONCV_PBE-1.1.upf  S_ONCV_PBE-1.1.upf   W_ONCV_PBE-1.1.upf
As_ONCV_PBE-1.1.upf  Hf_ONCV_PBE-1.1.upf  P_ONCV_PBE-1.1.upf   Si_ONCV_PBE-1.1.upf  Ta_ONCV_PBE-1.1.upf  Xe_ONCV_PBE-1.1.upf
Cl_ONCV_PBE-1.1.upf  In_ONCV_PBE-1.1.upf  Sb_ONCV_PBE-1.1.upf  Sn_ONCV_PBE-1.1.upf  Te_ONCV_PBE-1.1.upf

SR_1.2:
Ag_ONCV_PBE-1.2.upf  Cl_ONCV_PBE-1.2.upf  Hg_ONCV_PBE-1.2.upf  Na_ONCV_PBE-1.2.upf  Re_ONCV_PBE-1.2.upf  Te_ONCV_PBE-1.2.upf
Al_ONCV_PBE-1.2.upf  C_ONCV_PBE-1.2.upf   H_ONCV_PBE-1.2.upf   Nb_ONCV_PBE-1.2.upf  Rh_ONCV_PBE-1.2.upf  Ti_ONCV_PBE-1.2.upf
Ar_ONCV_PBE-1.2.upf  Co_ONCV_PBE-1.2.upf  In_ONCV_PBE-1.2.upf  Ne_ONCV_PBE-1.2.upf  Ru_ONCV_PBE-1.2.upf  Tl_ONCV_PBE-1.2.upf
As_ONCV_PBE-1.2.upf  Cr_ONCV_PBE-1.2.upf  I_ONCV_PBE-1.2.upf   Ni_ONCV_PBE-1.2.upf  Sb_ONCV_PBE-1.2.upf  V_ONCV_PBE-1.2.upf
Au_ONCV_PBE-1.2.upf  Cs_ONCV_PBE-1.2.upf  Ir_ONCV_PBE-1.2.upf  N_ONCV_PBE-1.2.upf   Sc_ONCV_PBE-1.2.upf  W_ONCV_PBE-1.2.upf
Ba_ONCV_PBE-1.2.upf  Cu_ONCV_PBE-1.2.upf  K_ONCV_PBE-1.2.upf   O_ONCV_PBE-1.2.upf   Se_ONCV_PBE-1.2.upf  Xe_ONCV_PBE-1.2.upf
Be_ONCV_PBE-1.2.upf  Fe_ONCV_PBE-1.2.upf  Kr_ONCV_PBE-1.2.upf  Os_ONCV_PBE-1.2.upf  Si_ONCV_PBE-1.2.upf  Y_ONCV_PBE-1.2.upf
Bi_ONCV_PBE-1.2.upf  F_ONCV_PBE-1.2.upf   La_ONCV_PBE-1.2.upf  Pb_ONCV_PBE-1.2.upf  Sn_ONCV_PBE-1.2.upf  Zn_ONCV_PBE-1.2.upf
B_ONCV_PBE-1.2.upf   Ga_ONCV_PBE-1.2.upf  Li_ONCV_PBE-1.2.upf  Pd_ONCV_PBE-1.2.upf  S_ONCV_PBE-1.2.upf   Zr_ONCV_PBE-1.2.upf
Br_ONCV_PBE-1.2.upf  Ge_ONCV_PBE-1.2.upf  Mg_ONCV_PBE-1.2.upf  P_ONCV_PBE-1.2.upf   Sr_ONCV_PBE-1.2.upf
Ca_ONCV_PBE-1.2.upf  He_ONCV_PBE-1.2.upf  Mn_ONCV_PBE-1.2.upf  Pt_ONCV_PBE-1.2.upf  Ta_ONCV_PBE-1.2.upf
Cd_ONCV_PBE-1.2.upf  Hf_ONCV_PBE-1.2.upf  Mo_ONCV_PBE-1.2.upf  Rb_ONCV_PBE-1.2.upf  Tc_ONCV_PBE-1.2.upf
(aiida_QE_VASP_YAMBO) yang@yang-Inspiron-3670:~/AiiDA/tutorial_pseudo/ONCV/new_sg15$

The code works exactly well.
Many thanks for that!

Sincerely,
Dr. Guoyu Yang
Lecturer
Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute
185 Yinjiang Rd.,
Jimei District, Xiamen,361021
Fujian, China
E-mail: 201961000100@jmu.edu.cn