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<p>Hello,</p>
<p>that could be the case if the phonon does not converge. It is
clearly stated in the output, which you should have a look at.</p>
<p>kind regards<br>
</p>
<div class="moz-cite-prefix">On 10/07/2024 23:54, Soham Ghosh wrote:<br>
</div>
<blockquote type="cite"
cite="mid:616A3301-84A0-4951-9B33-767FCC5A5319@lbl.gov">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
Hello QE users and experts,
<div><br>
</div>
<div>In my phonon calculations, some of the dynamical files seem
to not be written, even though ph.x runs fine and the
calculation is complete. The files are created, but are empty. I
have tested this with QE-7.3 and QE-7.0. Can you kindly help me
with understanding why?</div>
<div><br>
</div>
<div>My ph.in is as follows: </div>
<div><br>
</div>
<div>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">--</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">&inputph</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
prefix = 'H3S_270_2x2x2',</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
fildyn = 'H3S_270_2x2x2.dyn',</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
amass(1) = 32.065,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
amass(2) = 1.00794,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
outdir = './'</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
ldisp = .true.,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
trans = .true.,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
fildvscf = 'dvscf',</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
nq1=3,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
nq2=3,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
nq3=3,</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
tr2_ph = 1.0d-14</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);">
recover = .true.</span></p>
<p
style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; font-size: 14px; line-height: normal; font-family: "Andale Mono"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><span
style="font-variant-ligatures: no-common-ligatures; background-color: rgb(255, 255, 255);"> /</span></p>
</div>
<div><span style="font-variant-ligatures: no-common-ligatures"><br>
</span></div>
<div><span style="font-variant-ligatures: no-common-ligatures"><br>
</span></div>
<div>For (nq1, nq2, nq3) = (2,2,2) I do get meaningful dynamical
matrix files. </div>
<div><br>
</div>
<div>Best, </div>
<div>Soham Ghosh.</div>
<br>
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</blockquote>
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