[Wien] problem with the command addjoint-updn_lapw

[prasad jayasena]

Dear Prof. Abo
Thank you very much
Prasad J.. 

    On Tuesday, August 15, 2017 8:39 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:
 

  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07551.html
  On 8/15/2017 8:06 AM, prasad jayasena wrote:
  
  Dear wien2k experts 
  I am trying to calculate the optical absorption spectrum of my sample. I completed the SCF run with hubbard-U and spin orbital coupling in a parallel calculation. Then I performed the below through terminal
  x lapw1 -p -up -orb
 x lapw1 -p -dn -orb
 x lapwso -p -up -orb
 x lapw2 -p -so -fermi -up
 x lapw2 -p -so -fermi -dn
 x lcore -up
 x lcore -dn
 x opticc -p -so -up x joint -up 
  
  But then when I run  "addjoint-updn_lapw" it is giving me  "The required files case.jointup/dn are not present (or empty). Exit" 
  However I am not sure whether I need to do that step. because in the userguide it is not there and the comment for optic/joint/ kram is " Note: In spin-polarized cases with spin-orbit only one call to optic, joint and/or kram (either up or down) is necessary, since the spins are not independent any more and  both vector-files are used at the same time." 
  But I thought to run addjoint-updn_lapw because it is in the w2web calculation. However if i run x kram -up after x joint -up (skipping adjoint-updn_lapw) it creates case.absorbup epsilup reflectivityup ant etc. 
  
  
  Can someone please answer me whether the adjoint-updn_lapw is not required in the SO calculation.? Thank you in advance. 
  Prasad J PhD Candidate University of Regina
   
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