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abinit / pseudo_dojo

Python framework for generating and validating pseudo potentials
http://www.pseudo-dojo.org/
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No UPF format pseudopotentials for NC FR (ONCVPSP v0.4), PBEsol on pseudo-dojo.org #105

Open exenGT opened 6 years ago

exenGT commented 6 years ago

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

setten commented 6 years ago

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 notifications@github.com 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 https://github.com/abinit/pseudo_dojo/issues/105, or mute the thread https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk-OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf.

exenGT commented 6 years ago

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, Jingyang

exenGT commented 6 years ago

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 notifications@github.com 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 < https://github.com/abinit/pseudo_dojo/issues/105>, or mute the thread < https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk- OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf>.

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setten commented 6 years ago

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 notifications@github.com 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 <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 notifications@github.com 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 < https://github.com/abinit/pseudo_dojo/issues/105>, or mute the thread < https://github.com/notifications/unsubscribe-auth/AF0i-D-Rk- OrCprbUZ5Rv3L7SeT0ct0gks5uM6dlgaJpZM4VtPFf>.

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exenGT commented 6 years ago

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 notifications@github.com 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 < 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 notifications@github.com 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 < https://github.com/abinit/pseudo_dojo/issues/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 https://github.com/abinit/pseudo_dojo/issues/105# issuecomment-410517378, or mute the thread https://github.com/notifications/unsubscribe-auth/ ANEMHWKGAzIFlNaAGdesBKvCoYwnTfpEks5uNuaRgaJpZM4VtPFf .

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setten commented 6 years ago

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 notifications@github.com 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 < notifications@github.com mailto: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 <notifications@github.com mailto:notifications@github.com> 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 < notifications@github.com mailto: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 <notifications@github.com mailto:notifications@github.com> 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 < https://github.com/abinit/pseudo_dojo/issues/105 https://github.com/abinit/pseudo_dojo/issues/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 <https://github.com/abinit/pseudo_dojo/issues/105# https://github.com/abinit/pseudo_dojo/issues/105# issuecomment-410517378>, or mute the thread <https://github.com/notifications/unsubscribe-auth/ https://github.com/notifications/unsubscribe-auth/ ANEMHWKGAzIFlNaAGdesBKvCoYwnTfpEks5uNuaRgaJpZM4VtPFf> .

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