<div dir="ltr">Dear all:<div><br></div><div>I have one simple and silly question on the nonlinear core correction in phonon codes.</div><div><br></div><div>The subroutine of dvqpsi_us takes care of the contribution of the local part of pseudopotential to dvscf.</div><div><br></div><div>However, in most parts except for zstar_eu.f90, when calling dvqpsi_us the contribution due to the nonlinear core correction is not included; the third argument of dvqpsi_us controls the inclusion of this correction.</div><div><br></div><div>





<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">elphon.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> <span class="gmail-Apple-converted-space">          </span>CALL </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, u (1, mode), .FALSE., becp1, alphap)</span></p>
<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">ep_matrix_element_wannier.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> <span class="gmail-Apple-converted-space">          </span>CALL </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, u (1, mode), .FALSE., becp1, alphap)</span></p>
<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">raman_mat.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"><span class="gmail-Apple-converted-space">        </span>call </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, uact (1, imod),.false., becp1, alphap)</span></p>
<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">raman_mat.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> <span class="gmail-Apple-converted-space">          </span>call </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, uact (1, imod),.false., becp1, alphap )</span></p>
<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">solve_linter.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"><span class="gmail-Apple-converted-space">                    </span>call </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, u (1, mode),.false., becp1, alphap )</span></p>
<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">solve_linter.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"><span class="gmail-Apple-converted-space">                    </span>call </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, u (1, mode),.false., becpt, alphapt)</span></p>
<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures;color:rgb(213,59,211)">zstar_eu.f90</span><span class="gmail-s2" style="font-variant-ligatures:no-common-ligatures;color:rgb(51,187,200)">:</span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> <span class="gmail-Apple-converted-space">          </span>call </span><span class="gmail-s4" style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)"><b>dvqpsi_us</b></span><span class="gmail-s3" style="font-variant-ligatures:no-common-ligatures"> (ik, u (1, mode), .not.okvan, becp1, alphap)</span></p></div><div><br></div><div>Is there a specific reason to not include this correction?</div><div>Or is this correction added in other parts of the code?</div><div><br></div><div>Sincerely,</div><div><br></div><div>Hyungjun Lee</div></div>