<div dir="ltr"><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">Dear ALL,</div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff"><br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">How do I go about this? <br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">I am having the flags below and I am performing a relaxation on monoclinic SrIrO3:</div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">  <span style="color:rgb(255,0,0)"><b>lda_plus_u=.true.<br>  lda_plus_u_kind=1,Hubbard_U(1)=3.0<br>  noncolin = .true.<br>  lspinorb = .true.</b></span><br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">Unfortunately, the code is not happy. I am using versing 6.4.1 of the code. <br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">Below is the error    <br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">       <span style="color:rgb(0,255,0)"><b>Error in routine force_hub (1):<br>      forces in full LDA+U scheme are not yet implemented</b></span></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff"><br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">Any help? Is there a way I can compute forces in Quantum espresso when Spin Orbit & LDA+U are both activated?<br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff"><br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">James Sifuna<br></div><div class="gmail_default" style="font-family:georgia,serif;color:#0000ff">The Technical University of Kenya</div><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><font color="#888888">J.</font><div><div dir="ltr"><br><br><div><span></span></div></div></div></div></div></div></div>