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<div class="moz-cite-prefix">I have almost no experience with the
Phonopy package, but I did some looking into it.<br>
<br>
What version of Phonopy are you using?<br>
<br>
What scf2forces package are you using? I was able to get the same
error messages with the package SRC_scf2forces_old_format.tar.gz
from the WIEN2k unsupported page [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/unsupported/">http://www.wien2k.at/reg_user/unsupported/</a> ]. So I suspect that
you are likely using SRC_scf2forces_old_format.tar.gz. That
package requires that the version of Phonopy that you are using be
before 0.9.4.<br>
<br>
If you are using phonopy 0.9.4 or newer, you would need to use
SRC_scf2forces.tar.gz on the WIEN2k unsupported page. I tried
SRC_scf2forces.tar.gz with the latest Phonopy 1.10.0 [
<a class="moz-txt-link-freetext" href="https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/">https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/</a>
], but I don't know if the scf2forces package has been maintained
to keep its compatibility with the Phonopy package as it crashed
when I ran it with a forrtl: severe error. Though, that might be
because I gave it bad input or there could be a problem with my
executable.<br>
<br>
On the other hand, instead of using scf2forces, I used the
experimental support option in Phonopy 1.10.0 [
<a class="moz-txt-link-freetext" href="http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface">http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface</a> ]:<br>
<br>
phonopy --wien2k -f case-001.scf case-002.scf<br>
<br>
I don't know if it produced the correct FORCE_SETS, but it ran
fine (there were no errors) and created the FORCE_SETS file.<br>
<br>
I hope that helps.<br>
<br>
On 2/12/2016 6:23 AM, Rajneesh Chaurasiya wrote:<br>
</div>
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cite="mid:CAOsEhO8BD81NVH7YKp9s554E7in0Hq4ututZUoYHgxyzMqZRfQ@mail.gmail.com"
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<div><code></code><code class=""><span class=""></span></code>Dear
sir,<br>
<br>
</div>
I installed the phonopy package for phonon calculation. I
have used the hexagonal ZnO structure for phonon calculation
so i make a supercell (2*2*2) and initialize the structure.
after initialization it required to find the force on the
each atom so used scf2forces but it showing some error which
is give below. <br>
<br>
error in opening DISP<br>
error in opening FORCES<br>
error in opening *.struct<br>
error in opening *.scf<br>
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<br>
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so please give me your suggestion. <br>
</div>
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