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Dear Quantum ESPRESSO users and developers,</div>
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I am using Hubbard U+V to calculate Raman spectra in version 7.1. I am getting the following error in ph.x calculation:</div>
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Error in routine phq_readin (1):</div>
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The phonon code for this Hubbard projectors type is not implemented</div>
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My input file is following:</div>
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At first I tried using both U and V (please see input file below) and got the error. Then I looked into example 18 of PHonon folder for running ph.x calculation using Hubbard parameters, I found only U was used so instead of V, I changed to U of Hf-5d but still
got the same error. </div>
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&CONTROL
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calculation = 'scf'</div>
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pseudo_dir = '/lustre/scratch4/turquoise/rkarkee/pseudo'</div>
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outdir = './'</div>
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prefix = 'scf'</div>
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tprnfor = .true.</div>
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tstress=.true.</div>
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wf_collect=.true.</div>
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nstep=200</div>
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verbosity='high'</div>
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&SYSTEM</div>
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ibrav=0,</div>
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ecutwfc = 70,</div>
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nat = 12,</div>
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ntyp = 2,</div>
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&ELECTRONS</div>
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conv_thr = 1.00000e-10</div>
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electron_maxstep = 200</div>
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mixing_beta = 0.2</div>
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diagonalization = "david"</div>
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K_POINTS {automatic}</div>
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4 4 2 1 1 1</div>
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ATOMIC_SPECIES</div>
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Hf 178.49 Hf.upf</div>
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Te 127.60 Te.upf</div>
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CELL_PARAMETERS (angstrom)</div>
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1.981384438 7.143912880 0.000000000</div>
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-1.981384438 7.143912880 0.000000000</div>
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0.000000000 0.000000000 13.392710047</div>
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ATOMIC_POSITIONS (crystal)</div>
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Hf 0.8168487835 0.8168487835 0.7500000000</div>
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Hf 0.1831512165 0.1831512165 0.2500000000</div>
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Te 0.7079529470 0.7079529470 0.5662574855</div>
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Te 0.2920470530 0.2920470530 0.0662574855</div>
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Te 0.7079529470 0.7079529470 0.9337425145</div>
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Te 0.2920470530 0.2920470530 0.4337425145</div>
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Te 0.4293385820 0.4293385820 0.8534412009</div>
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Te 0.5706614180 0.5706614180 0.3534412009</div>
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Te 0.4293385820 0.4293385820 0.6465587991</div>
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Te 0.5706614180 0.5706614180 0.1465587991</div>
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Te 0.1634814818 0.1634814818 0.7500000000</div>
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Te 0.8365185182 0.8365185182 0.2500000000</div>
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HUBBARD {ortho-atomic}</div>
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V Hf-5d Hf-5d 1 1 2.0477</div>
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V Hf-5d Te-5p 1 201 0.1286</div>
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And ph.x input is:</div>
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HfTe5 bulk Raman
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&inputph</div>
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tr2_ph=1.0d-18</div>
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prefix='scf'</div>
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trans=.true.</div>
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lraman=.true.</div>
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epsil=.true.</div>
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outdir='./'</div>
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fildyn='HfTe.dynG'</div>
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alpha_mix=0.3</div>
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max_seconds=269200</div>
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0.0 0.0 0.0</div>
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I also tried with the following but got the same error.</div>
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<span class="x_ContentPasted3" style="border: 0px; font: inherit; margin: 0px; padding: 0px; vertical-align: baseline; color: inherit; display: inline !important;">HUBBARD {ortho-atomic}</span><br aria-hidden="true">
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Hf-5d 2.0477</span><br aria-hidden="true">
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<font face="sans-serif"><span style="border: 0px; font-style: inherit; font-variant: inherit; font-weight: inherit; font-stretch: inherit; font-size: 12px; line-height: inherit; font-family: inherit; font-optical-sizing: inherit; font-kerning: inherit; font-feature-settings: inherit; font-variation-settings: inherit; margin: 0px; padding: 0px; vertical-align: baseline; color: inherit;">Thank
you,</span></font></div>
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Rijan Karkee</div>
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