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<div class="moz-cite-prefix">Dear Jingyang Wang <br>
thanks for your contribution. <br>
To incorporate your code in the repository you can use the qe
repository on gitlab. Just submit a merge request with your
contribution. <br>
In this way the contribution will be directly attributed to you.
<br>
Just follow the instructions at this link
<a class="moz-txt-link-freetext" href="https://gitlab.com/QEF/q-e/blob/master/CONTRIBUTING.md#development">https://gitlab.com/QEF/q-e/blob/master/CONTRIBUTING.md#development</a><br>
<br>
It should be easy to update your code to new qe version. The only
relevant changes are the interfaces of read_upf and write_upf
subroutines which have been modified. <br>
Anyway for any problem just write to me or post an issue on the
gitlab repository, and we will solve any issue<br>
<br>
thanks again and best regards <br>
Pietro <br>
<br>
<br>
On 03/26/2018 09:29 PM, Jingyang Wang wrote:<br>
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cite="mid:CAGsc19iJ2WH2V0ZxM0XFVxw3e9qmPHo29aUyaWsdTh67Nx8sTQ@mail.gmail.com">
<div dir="ltr">Dear QE developers,
<div><br>
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<div>Since I realized some time ago that the problem of
virtual.x not being able to read the UPF v2 format has been
there for a long time, and nobody seemed to have the time or
need to fix it, I decided to do it myself. The updated version
is named "virtual_v2.x"; as the name suggests, it properly
generates a virtual crystal pseudopotential in UPF v2 format
from two UPF v2 pseudopotentials. The nice feature about this
code is that, instead of using its own independent read and
write routine in /upftools, it uses the standard modules
"upf_module" and "write_upf_v2" in /Modules. I have compiled
the code with QE v5.2.0 and successfully generated the correct
pseudopotential file, although there seems to be some kind of
problem for later versions of QE (not sure what it is). I'm
wondering if there is a way to incorporate this code to the
latest QE depository? Thank you very much!</div>
<div><br>
</div>
<div>Best regards,</div>
<div>Jingyang Wang</div>
<div><br>
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<div dir="ltr"><span
style="color:rgb(136,136,136)">Jingyang Wang</span></div>
<div dir="ltr"><font color="#888888">Ph.D.
candidate<br>
</font>
<div><span style="color:rgb(136,136,136)">School
of Applied and Engineering Physics<br>
Cornell University<br>
</span></div>
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