No UPF format pseudopotentials for NC FR (ONCVPSP v0.4), PBEsol on pseudo-dojo.org #105
Comments
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dear Jingling,
I’ll look at this, at the moment please use the download button. I Just checked this, it give a tgz with the correct upf files.
Please let me know if this does not work correctly.
Best,
Michiel
… On 03 Aug 2018, at 03:29, Jingyang Wang ***@***.***> wrote:
Dear developers,
When I try to download the UPF format pseudos for NC FR (ONCVPSP v0.4), PBEsol on pseudo-dojo.org, I get the wrong format (psp8 instead of UPF). Could you re-upload the pseudos with the correct format online? Thank you very much!
Best regards,
Jingyang
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Dear Michiel, I have tried the download button already. I have found that the format is correct for most elements. However, for elements Ge, Sb, and Te, the content of the files are not the correct UPF pseudos, but rather psp8 pseudos, although the filename ends with *.upf. I'm wondering if you could help fix this issue? Thanks, |
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Dear Michiel,
Did you see my reply to your thread a week ago? If not, here it is:
…----------------------------------------------------------------
I have tried the download button already. I have found that the format is
correct for most elements. However, for elements *Ge, Sb, and Te*, the
content of the files are not the correct UPF pseudos, but rather psp8
pseudos, although the filename ends with *.upf. I'm wondering if you could
help fix this issue?
Thanks,
Jingyang
Jingyang Wang
Ph.D. candidate
School of Applied and Engineering Physics
Cornell University
On Sun, Aug 5, 2018 at 5:35 AM, Michiel van Setten <notifications@github.com
wrote:
dear Jingling,
I’ll look at this, at the moment please use the download button. I Just
checked this, it give a tgz with the correct upf files.
Please let me know if this does not work correctly.
Best,
Michiel
> On 03 Aug 2018, at 03:29, Jingyang Wang ***@***.***>
wrote:
>
> Dear developers,
>
> When I try to download the UPF format pseudos for NC FR (ONCVPSP v0.4),
PBEsol on pseudo-dojo.org, I get the wrong format (psp8 instead of UPF).
Could you re-upload the pseudos with the correct format online? Thank you
very much!
>
> Best regards,
> Jingyang
>
> —
> You are receiving this because you are subscribed to this thread.
> Reply to this email directly, view it on GitHub <
#105>, or mute the thread <
https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk-
OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf>.
>
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Hi,
I didn’t have time to check what is wrong. At the backend all files are there..
just to solve your direct problem I attached all FR PBEsol potentials for the elements you are interested in
Best,
Michiel
… On 13 Aug 2018, at 20:56, Jingyang Wang ***@***.***> wrote:
Dear Michiel,
Did you see my reply to your thread a week ago? If not, here it is:
----------------------------------------------------------------
I have tried the download button already. I have found that the format is
correct for most elements. However, for elements *Ge, Sb, and Te*, the
content of the files are not the correct UPF pseudos, but rather psp8
pseudos, although the filename ends with *.upf. I'm wondering if you could
help fix this issue?
Thanks,
Jingyang
Jingyang Wang
Ph.D. candidate
School of Applied and Engineering Physics
Cornell University
On Sun, Aug 5, 2018 at 5:35 AM, Michiel van Setten ***@***.***
> wrote:
> dear Jingling,
>
> I’ll look at this, at the moment please use the download button. I Just
> checked this, it give a tgz with the correct upf files.
>
> Please let me know if this does not work correctly.
>
> Best,
> Michiel
>
> > On 03 Aug 2018, at 03:29, Jingyang Wang ***@***.***>
> wrote:
> >
> > Dear developers,
> >
> > When I try to download the UPF format pseudos for NC FR (ONCVPSP v0.4),
> PBEsol on pseudo-dojo.org, I get the wrong format (psp8 instead of UPF).
> Could you re-upload the pseudos with the correct format online? Thank you
> very much!
> >
> > Best regards,
> > Jingyang
> >
> > —
> > You are receiving this because you are subscribed to this thread.
> > Reply to this email directly, view it on GitHub <
> #105>, or mute the thread <
> https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk-
> OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf>.
> >
>
> —
> You are receiving this because you authored the thread.
> Reply to this email directly, view it on GitHub
> <#105 (comment)>,
> or mute the thread
> <https://github.com/notifications/unsubscribe-auth/ANEMHWKGAzIFlNaAGdesBKvCoYwnTfpEks5uNuaRgaJpZM4VtPFf>
> .
>
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Hi Michiel,
Thank you very much for your reply! But I don't see where the attachment
is. Could you let me know? Thanks!
Best,
Jingyang
Jingyang Wang
Ph.D. candidate
School of Applied and Engineering Physics
Cornell University
On Mon, Aug 13, 2018 at 12:27 PM, Michiel van Setten <
notifications@github.com> wrote:
… Hi,
I didn’t have time to check what is wrong. At the backend all files are
there..
just to solve your direct problem I attached all FR PBEsol potentials for
the elements you are interested in
Best,
Michiel
> On 13 Aug 2018, at 20:56, Jingyang Wang ***@***.***>
wrote:
>
> Dear Michiel,
>
> Did you see my reply to your thread a week ago? If not, here it is:
>
> ----------------------------------------------------------------
>
> I have tried the download button already. I have found that the format is
> correct for most elements. However, for elements *Ge, Sb, and Te*, the
> content of the files are not the correct UPF pseudos, but rather psp8
> pseudos, although the filename ends with *.upf. I'm wondering if you
could
> help fix this issue?
>
> Thanks,
> Jingyang
>
>
> Jingyang Wang
> Ph.D. candidate
> School of Applied and Engineering Physics
> Cornell University
>
> On Sun, Aug 5, 2018 at 5:35 AM, Michiel van Setten <
***@***.***
> > wrote:
>
> > dear Jingling,
> >
> > I’ll look at this, at the moment please use the download button. I Just
> > checked this, it give a tgz with the correct upf files.
> >
> > Please let me know if this does not work correctly.
> >
> > Best,
> > Michiel
> >
> > > On 03 Aug 2018, at 03:29, Jingyang Wang ***@***.***>
> > wrote:
> > >
> > > Dear developers,
> > >
> > > When I try to download the UPF format pseudos for NC FR (ONCVPSP
v0.4),
> > PBEsol on pseudo-dojo.org, I get the wrong format (psp8 instead of
UPF).
> > Could you re-upload the pseudos with the correct format online? Thank
you
> > very much!
> > >
> > > Best regards,
> > > Jingyang
> > >
> > > —
> > > You are receiving this because you are subscribed to this thread.
> > > Reply to this email directly, view it on GitHub <
> > #105>, or mute the thread
<
> > https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk-
> > OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf>.
> > >
> >
> > —
> > You are receiving this because you authored the thread.
> > Reply to this email directly, view it on GitHub
> > <#105#
issuecomment-410517378>,
> > or mute the thread
> > <https://github.com/notifications/unsubscribe-auth/
ANEMHWKGAzIFlNaAGdesBKvCoYwnTfpEks5uNuaRgaJpZM4VtPFf>
> > .
> >
> —
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I guess attachments do not get transferred via the git notifications.
just send me an email on mjvansetten@gmail.com <mailto:mjvansetten@gmail.com>. I’ll reply to that with the files.
Best
Michiel
… On 13 Aug 2018, at 21:55, Jingyang Wang ***@***.***> wrote:
Hi Michiel,
Thank you very much for your reply! But I don't see where the attachment
is. Could you let me know? Thanks!
Best,
Jingyang
Jingyang Wang
Ph.D. candidate
School of Applied and Engineering Physics
Cornell University
On Mon, Aug 13, 2018 at 12:27 PM, Michiel van Setten <
***@***.*** ***@***.***>> wrote:
> Hi,
>
> I didn’t have time to check what is wrong. At the backend all files are
> there..
>
> just to solve your direct problem I attached all FR PBEsol potentials for
> the elements you are interested in
>
> Best,
> Michiel
>
>
> > On 13 Aug 2018, at 20:56, Jingyang Wang ***@***.*** ***@***.***>>
> wrote:
> >
> > Dear Michiel,
> >
> > Did you see my reply to your thread a week ago? If not, here it is:
> >
> > ----------------------------------------------------------------
> >
> > I have tried the download button already. I have found that the format is
> > correct for most elements. However, for elements *Ge, Sb, and Te*, the
>
> > content of the files are not the correct UPF pseudos, but rather psp8
> > pseudos, although the filename ends with *.upf. I'm wondering if you
> could
> > help fix this issue?
> >
> > Thanks,
> > Jingyang
> >
> >
> > Jingyang Wang
> > Ph.D. candidate
> > School of Applied and Engineering Physics
> > Cornell University
> >
> > On Sun, Aug 5, 2018 at 5:35 AM, Michiel van Setten <
> ***@***.*** ***@***.***>
> > > wrote:
> >
> > > dear Jingling,
> > >
> > > I’ll look at this, at the moment please use the download button. I Just
> > > checked this, it give a tgz with the correct upf files.
> > >
> > > Please let me know if this does not work correctly.
> > >
> > > Best,
> > > Michiel
> > >
> > > > On 03 Aug 2018, at 03:29, Jingyang Wang ***@***.*** ***@***.***>>
> > > wrote:
> > > >
> > > > Dear developers,
> > > >
> > > > When I try to download the UPF format pseudos for NC FR (ONCVPSP
> v0.4),
> > > PBEsol on pseudo-dojo.org, I get the wrong format (psp8 instead of
> UPF).
> > > Could you re-upload the pseudos with the correct format online? Thank
> you
> > > very much!
> > > >
> > > > Best regards,
> > > > Jingyang
> > > >
> > > > —
> > > > You are receiving this because you are subscribed to this thread.
> > > > Reply to this email directly, view it on GitHub <
> > > #105 <#105>>, or mute the thread
> <
> > > https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk- <https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk->
> > > OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf>.
> > > >
> > >
> > > —
> > > You are receiving this because you authored the thread.
> > > Reply to this email directly, view it on GitHub
> > > <#105# <#105#>
> issuecomment-410517378>,
> > > or mute the thread
> > > <https://github.com/notifications/unsubscribe-auth/ <https://github.com/notifications/unsubscribe-auth/>
> ANEMHWKGAzIFlNaAGdesBKvCoYwnTfpEks5uNuaRgaJpZM4VtPFf>
> > > .
> > >
> > —
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> >
>
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Dear developers,
When I try to download the UPF format pseudos for NC FR (ONCVPSP v0.4), PBEsol on pseudo-dojo.org, I get the wrong format (psp8 instead of UPF). Could you re-upload the pseudos with the correct format online? Thank you very much!
P.S. This happens only for elements Ge, Sb, Te (not sure if other elements have the same problem). If you download them, the filename extension is ".upf" (which is correct), but the content of the files are of the psp8 format instead of the upf format. Quantum Espresso cannot properly read these pseudos.
Best regards,
Jingyang
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