<div dir="ltr">Remarkably, this is already the primitive cell of my system. Running the example from PP/examples/projected_bands_example results in no issues.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Jul 14, 2025 at 8:13 AM Stefano de Gironcoli <<a href="mailto:degironc@sissa.it" target="_blank">degironc@sissa.it</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><u></u>

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Your calculation is quite big. . . ( >1000 orbitals ). Is it a supercell of a smaller system ? if you were to run a similar calculation in a smaller cell would it still produce crazy results ? stefano On 14/07/25 13: 53, André Luiz Koch Liston</div>



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  <div>
    <p>Your calculation is quite big... ( >1000 orbitals ). </p>
    <p>Is it a supercell of a smaller system ?  if you were to run a
      similar calculation in a smaller cell would it still produce crazy
      results ? <br>
    </p>
    <p>stefano<br>
    </p>
    <div>On 14/07/25 13:53, André Luiz Koch
      Liston wrote:<br>
    </div>
    <blockquote type="cite">
      
      <div dir="ltr">
        <div>Thanks, Stefano. Yes, the results are reproducible and
          consistent. Strangely, everything runs as expected when
          kresolveddos is set to false in {prefix}.<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__projwfc.in&d=DwMDaQ&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=fgrgZPxFb6FT_NxcX4lFNAniQbo0Y41jfAVIFiVJPl5GG4bcR2ICCvpQVmOf65n0&s=bTxM_HdYbiU2IeIrEQf0SaHnXk6IzW11I0Zt_VodB9g&e=" target="_blank">projwfc.in</a>.
          (Though that'd also defeat the very purpose of doing these
          calculations). </div>
        <div>&PROJWFC</div>
        <div>kresolveddos = .false.</div>
        <div>...</div>
        <div>/</div>
        <div><br>
        </div>
        <div>I should also note that there's no difference whether the
          calculation preceding the "projwfc.x" step is a 'bands' or
          'nscf' calculation. </div>
        <div>I've even recompiled QE-7.2 (as per Vahid's suggestion,
          just in case) but the same error persists. I'm starting to run
          out of ideas.</div>
      </div>
      <br>
      <div class="gmail_quote">
        <div dir="ltr" class="gmail_attr">On Mon, Jul 14, 2025 at
          4:04 AM Stefano de Gironcoli <<a href="mailto:degironc@sissa.it" target="_blank">degironc@sissa.it</a>>
          wrote:<br>
        </div>
        <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
          <div>
            <div style="display:none;font-size:1px;color:rgb(255,255,255);line-height:1px;height:0px;max-height:0px;opacity:0;overflow:hidden">
              Thanks for your reply, I was asking because if things are
              working properly one would expect the sum of |psi|^2
              should be less, but quite close, to the number of atomic
              wfs. and the sum of the pdos for each atomic wfc
              projection should sum to</div>
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              <p>Thanks for your reply,</p>
              <p>I was asking because if things are working properly one
                would expect the sum of |psi|^2 should be less, but
                quite close, to the number of atomic wfs.<br>
              </p>
              <div>and the sum of the pdos for each atomic wfc
                projection should sum to (at most) 1</div>
              <div><br>
              </div>
              <div>It seams that you are missing a lot of wfc weight (as
                you said in your original message). Something wrong in
                the generation of the atomic projectors maybe ...  <br>
              </div>
              <div><br>
              </div>
              <div>Are your results reproducible ? <br>
              </div>
              <div><br>
              </div>
              <div>stefano<br>
              </div>
              <div><br>
              </div>
              <div>On 12/07/25 17:07, André Luiz Koch Liston wrote:<br>
              </div>
              <blockquote type="cite">
                <div dir="ltr">
                  <div>We're dealing with 1248 atomic orbitals (natomwfc
                    = 1248) split into Nb, Se, and Cl</div>
                  <div>Nb<br>
                        Valence configuration:<br>
                        nl pn  l   occ       Rcut    Rcut US       E
                    pseu<br>
                        4S  1  0  2.00      1.000      1.400  
                     -4.288693<br>
                        5S  2  0  1.00      1.000      1.400  
                     -0.294951<br>
                        4P  2  1  6.00      1.000      1.700  
                     -2.535104<br>
                        4D  3  2  4.00      1.000      1.700  
                     -0.224572<br>
                        Generation configuration:<br>
                        4S  1  0  2.00      1.000      1.400  
                     -4.288702<br>
                        5S  2  0  1.00      1.000      1.400  
                     -0.294957<br>
                        4P  2  1  6.00      1.000      1.700  
                     -2.535113<br>
                        5P  3  1  0.00      1.000      1.700  
                     -0.500000<br>
                        4D  3  2  4.00      1.000      1.700  
                     -0.224577<br>
                        4D  3  2 -2.00      1.000      1.700    
                    0.200000<br>
                  </div>
                  <div>Se</div>
                  <div>nl pn  l   occ               Rcut            Rcut
                    US             E pseu<br>
                    4S  4  0  2.00      0.00000000000      1.50000000000
                        -1.27090753500<br>
                    4P  4  1  4.00      0.00000000000      1.50000000000
                        -0.47850673200<br>
                  </div>
                  <div>Cl</div>
                  <div>nl pn  l   occ               Rcut            Rcut
                    US             E pseu<br>
                    3S  3  0  2.00      0.00000000000      1.30000000000
                        -1.51543807600<br>
                    3P  3  1  5.00      0.00000000000      1.30000000000
                        -0.62926841900<br>
                    <br>
                  </div>
                  <div>The sum of the projected |psi|^2 equals 556.315,
                    well below the 1800.00 electrons distributed
                    along 1080 Kohn-Sham states from the 'sfc'
                    calculation (number of electrons = 1800.00, number
                    of Kohn-Sham states = 1080)</div>
                  <br>
                </div>
                <br>
                <div class="gmail_quote">
                  <div dir="ltr" class="gmail_attr">On Sat, Jul 12, 2025
                    at 3:44 AM Stefano de Gironcoli <<a href="mailto:degironc@sissa.it" target="_blank">degironc@sissa.it</a>>
                    wrote:<br>
                  </div>
                  <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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                        How many atomic orbitals do you have ? How much
                        is the sum of the projected |psi|^2 ? Stefano
                        Get Outlook for Android From: users <a href="mailto:users-bounces@%E2%80%8Alists.%E2%80%8Aquantum-espresso.%E2%80%8Aorg" target="_blank"><users-bounces@ lists. quantum-espresso. org></a>
                        on behalf of André Luiz Koch Liston <a href="mailto:alk2244@%E2%80%8Acolumbia.%E2%80%8Aedu" target="_blank"><alk2244@ columbia. edu></a></div>
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                        <div style="font-family:Aptos,Aptos_MSFontService,-apple-system,Roboto,Arial,Helvetica,sans-serif;font-size:12pt" dir="auto"> How many atomic orbitals do you
                          have ?</div>
                        <div style="font-family:Aptos,Aptos_MSFontService,-apple-system,Roboto,Arial,Helvetica,sans-serif;font-size:12pt" dir="auto"> How much is the sum of the
                          projected |psi|^2 ?</div>
                        <div style="font-family:Aptos,Aptos_MSFontService,-apple-system,Roboto,Arial,Helvetica,sans-serif;font-size:12pt" dir="auto"> Stefano</div>
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                          Get <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__aka.ms_AAb9ysg&d=DwMFoQ&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=5fokPCkla7G3j0EXdf60ebC1pD_eDNinDgcatpU-7tUL1sG-bN05GAZ2BcBsnOr-&s=pH2bm8bL5e4b_jqajXVLYxlrAkydn-aPtqW6B20HfcI&e=" target="_blank">Outlook
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                        <div id="m_-3277215237119064362m_5541486404434371796m_1943798607770726913m_-7432512449559215188divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b>
                            users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank">users-bounces@lists.quantum-espresso.org</a>>
                            on behalf of André Luiz Koch Liston <<a href="mailto:alk2244@columbia.edu" target="_blank">alk2244@columbia.edu</a>><br>
                            <b>Sent:</b> Friday, July 11, 2025 11:25:06
                            PM<br>
                            <b>To:</b> <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>
                            <<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br>
                            <b>Subject:</b> [QE-users] [QE-GPU] pDOS
                            abruptly ends before Fermi Energy</font>
                          <div> </div>
                        </div>
                        <div>
                          <div dir="ltr">
                            <div>Dear QE users, </div>
                            <div>I'm working to get bands containing
                              information on atomic projections ("fat
                              bands"). I am able to obtain a reasonable
                              band structure (Fermi energy = 6.9736 eV)
                              and total DOS. However, when projecting
                              the results of the 'scf' and 'bands'
                              calculations using projwfc.x, the .pdos
                              files abruptly end way before the Fermi
                              energy is reached. Snippet of the projwfc
                              output, where |psi|^2 drops to zero:</div>
                            <div><br>
                            </div>
                            <div>...</div>
                            <div>==== e( 557) =     2.90731 eV ==== <br>
                                   psi =
                              0.010*[#1204]+0.010*[#1208]+0.010*[#1212]+0.010*[#1216]+0.010*[#1220]<br>
                                        +0.010*[#1224]+...+0.001*[# 797]<br>
                                  |psi|^2 = 0.991<br>
                              ==== e( 558) =     2.91135 eV ==== <br>
                                   psi =
                              0.011*[#1156]+0.011*[#1160]+0.011*[#1164]+0.011*[#1168]+0.009*[#
                              514]<br>
                                        +0.009*[# 518]+0.009*[#
                              522]+..+0.001*[#1004]+0.001*[#1008]+0.001*[#1012]<br>
                                       
                              +0.001*[#1016]+0.001*[#1020]+0.001*[#1024]<br>
                                  |psi|^2 = 0.987<br>
                              ==== e( 559) =     2.91694 eV ==== <br>
                                   psi =
                              0.004*[#1156]+0.004*[#1164]+0.003*[#1160]+0.003*[#1168]+0.003*[#1004]<br>
                                       
                              +0.003*[#1020]+0.003*[#1239]+...+0.001*[#1008]+0.001*[#1203]<br>
                                        +0.001*[#1219]+0.001*[#
                              459]+0.001*[# 479]<br>
                                  |psi|^2 = 0.337<br>
                              ==== e( 560) =     2.91818 eV ==== <br>
                               <br>
                                  |psi|^2 = 0.000<br>
                              ==== e( 561) =     2.92904 eV ==== <br>
                               <br>
                                  |psi|^2 = 0.000<br>
                              ==== e( 562) =     2.93008 eV ==== <br>
                            </div>
                            <div>...</div>
                            <div><br>
                            </div>
                            <div>As such, the outputs of
                              {prefix}.pdos_atm#{(Cl)_wfc#1(s) also
                              abruptly end around 2.9 eV, way before the
                              Fermi energy is reached. Strangely,
                              {prefix}.pdos_tot does contain DOS
                              reaching to the Fermi energy:</div>
                            <div><br>
                            </div>
                            <div><img src="cid:ii_19809f86188cb971f161" alt="image.png" width="558" height="401"></div>
                            <div># ik    E (eV)  dos(E)    pdos(E)</div>
                            <div>...</div>
                            <div>    1    6.862  0.346E+02  0.000E+00<br>
                                  1    6.872  0.515E+02  0.000E+00<br>
                                  1    6.882  0.104E+02  0.000E+00<br>
                                  1    6.892  0.287E+00  0.000E+00<br>
                                  1    6.902  0.634E+00  0.000E+00<br>
                                  1    6.912  0.161E+02  0.000E+00<br>
                                  1    6.922  0.556E+02  0.000E+00<br>
                                  1    6.932  0.260E+02  0.000E+00<br>
                                  1    6.942  0.164E+01  0.000E+00<br>
                                  1    6.952  0.140E-01  0.000E+00<br>
                                  1    6.962  0.162E-04  0.000E+00<br>
                              <b>    1    6.972  0.254E-08  0.000E+00   
                                          - ~Fermi Energy</b><br>
                                  1    6.982  0.538E-13  0.000E+00<br>
                                  1    6.992  0.000E+00  0.000E+00<br>
                                  1    7.002  0.000E+00  0.000E+00<br>
                                  1    7.012  0.000E+00  0.000E+00<br>
                                  1    7.022  0.236E-11  0.000E+00<br>
                                  1    7.032  0.574E-07  0.000E+00<br>
                                  1    7.042  0.189E-03  0.000E+00<br>
                                  1    7.052  0.845E-01  0.000E+00<br>
                                  1    7.062  0.510E+01  0.000E+00<br>
                                  1    7.072  0.417E+02  0.000E+00<br>
                                  1    7.082  0.461E+02  0.000E+00<br>
                                  1    7.092  0.690E+01  0.000E+00</div>
                            <div>...</div>
                            <div><br>
                            </div>
                            <div>Code version: QE  7.4.1 (GPU enabled)<br>
                              Pseudopotentials:</div>
                            <div> - Cl     35.453
                              cl_pbesol_v1.4.uspp.F.UPF<br>
                               - Nb     92.90638
                              Nb.pbesol-spn-kjpaw_psl.0.3.0.UPF<br>
                               - Se     78.96 se_pbesol_v1.uspp.F.UPF</div>
                            <div>nbnd = 1100</div>
                            <div>Calculation type: SCF (pw.x) → Bands
                              (pw.x) → projwfc.x → bands.x<br>
                            </div>
                            <div><br>
                            </div>
                            <div>Has this issue been seen before? What
                              steps may I take to troubleshoot this?</div>
                            <br>
                            <span>-- </span><br>
                            <div dir="ltr">
                              <div dir="ltr"><font face="arial, sans-serif">Thank you for
                                  your time,</font>
                                <div><font face="arial, sans-serif">André
                                    Koch Liston<br>
                                  </font></div>
                                <div><font face="arial, sans-serif">PhD
                                    Researcher in Chemistry</font></div>
                                <div><font face="arial, sans-serif">Columbia
                                    University</font></div>
                              </div>
                            </div>
                          </div>
                        </div>
                      </div>
_______________________________________________________________________________<br>
                      The Quantum ESPRESSO Foundation stands in
                      solidarity with all civilians worldwide who are
                      victims of terrorism, military aggression, and
                      indiscriminate warfare.<br>
--------------------------------------------------------------------------------<br>
                      Quantum ESPRESSO is supported by MaX (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=5fokPCkla7G3j0EXdf60ebC1pD_eDNinDgcatpU-7tUL1sG-bN05GAZ2BcBsnOr-&s=YzsqTsqRs-_FHx5Ow3GyJ5pV1X5YiS3WkTB7YnHCS_Q&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=5fokPCkla7G3j0EXdf60ebC1pD_eDNinDgcatpU-7tUL1sG-bN05GAZ2BcBsnOr-&s=YzsqTsqRs-_FHx5Ow3GyJ5pV1X5YiS3WkTB7YnHCS_Q&e=</a>
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                    </div>
                  </blockquote>
                </div>
                <div><br clear="all">
                </div>
                <br>
                <span class="gmail_signature_prefix">-- </span><br>
                <div dir="ltr" class="gmail_signature">
                  <div dir="ltr"><font face="arial, sans-serif">Thank
                      you for your time,</font>
                    <div><font face="arial, sans-serif">André Koch
                        Liston<br>
                      </font></div>
                    <div><font face="arial, sans-serif">PhD Researcher
                        in Chemistry</font></div>
                  </div>
                </div>
                <br>
                <fieldset></fieldset>
                <pre>_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwMDaQ&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=0fIQgLafPNAGW_8az8DLNonwSbRGeH7YS-F29pOw8eExg5oio_3sJxr8MXnuccq0&s=BBq6-mHm-4VllGK6EYWdWzZb_ssoz_30SOHaXkpJVHI&e=" target="_blank">www.max-centre.eu</a>)
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              </blockquote>
            </div>
_______________________________________________________________________________<br>
            The Quantum ESPRESSO Foundation stands in solidarity with
            all civilians worldwide who are victims of terrorism,
            military aggression, and indiscriminate warfare.<br>
--------------------------------------------------------------------------------<br>
            Quantum ESPRESSO is supported by MaX (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=0fIQgLafPNAGW_8az8DLNonwSbRGeH7YS-F29pOw8eExg5oio_3sJxr8MXnuccq0&s=BBq6-mHm-4VllGK6EYWdWzZb_ssoz_30SOHaXkpJVHI&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=0fIQgLafPNAGW_8az8DLNonwSbRGeH7YS-F29pOw8eExg5oio_3sJxr8MXnuccq0&s=BBq6-mHm-4VllGK6EYWdWzZb_ssoz_30SOHaXkpJVHI&e=</a>
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          </div>
        </blockquote>
      </div>
      <div><br clear="all">
      </div>
      <br>
      <span class="gmail_signature_prefix">-- </span><br>
      <div dir="ltr" class="gmail_signature">
        <div dir="ltr"><font face="arial, sans-serif">Thank you for your
            time,</font>
          <div><font face="arial, sans-serif">André Koch Liston<br>
            </font></div>
          <div><font face="arial, sans-serif">PhD Researcher in
              Chemistry</font></div>
        </div>
      </div>
      <br>
      <fieldset></fieldset>
      <pre>_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwMDaQ&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=fgrgZPxFb6FT_NxcX4lFNAniQbo0Y41jfAVIFiVJPl5GG4bcR2ICCvpQVmOf65n0&s=N_60fi9llizfJ5oNNQGYhHvgh2ng-miThQB1JuFnUEw&e=" target="_blank">www.max-centre.eu</a>)
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    </blockquote>
  </div>
_______________________________________________________________________________<br>
The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.<br>
--------------------------------------------------------------------------------<br>
Quantum ESPRESSO is supported by MaX (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=fgrgZPxFb6FT_NxcX4lFNAniQbo0Y41jfAVIFiVJPl5GG4bcR2ICCvpQVmOf65n0&s=N_60fi9llizfJ5oNNQGYhHvgh2ng-miThQB1JuFnUEw&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.max-2Dcentre.eu&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=fgrgZPxFb6FT_NxcX4lFNAniQbo0Y41jfAVIFiVJPl5GG4bcR2ICCvpQVmOf65n0&s=N_60fi9llizfJ5oNNQGYhHvgh2ng-miThQB1JuFnUEw&e=</a> )<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__lists.quantum-2Despresso.org_mailman_listinfo_users&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=fgrgZPxFb6FT_NxcX4lFNAniQbo0Y41jfAVIFiVJPl5GG4bcR2ICCvpQVmOf65n0&s=5_Dh3iRKH92lDXWGlZ32OQdtO8RVrQy8egwWcsa5-NI&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=https-3A__lists.quantum-2Despresso.org_mailman_listinfo_users&d=DwICAg&c=009klHSCxuh5AI1vNQzSO0KGjl4nbi2Q0M1QLJX9BeE&r=-CyxoGv2Hs4gjxMybGsqVAOKuvXHk2d8dyOOhFrMP0M&m=fgrgZPxFb6FT_NxcX4lFNAniQbo0Y41jfAVIFiVJPl5GG4bcR2ICCvpQVmOf65n0&s=5_Dh3iRKH92lDXWGlZ32OQdtO8RVrQy8egwWcsa5-NI&e=</a> </div></blockquote></div><div><br clear="all"></div><br><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><font face="arial, sans-serif">Thank you for your time,</font><div><font face="arial, sans-serif">André Koch Liston<br></font></div><div><font face="arial, sans-serif">PhD Researcher in Chemistry</font></div></div></div>