[Wien] information for some energy and potential values

chin Sabsu chinsabsu at yahoo.in
Sun Jun 10 21:00:34 CEST 2018


Dear Wien2k Users,
Sorry to disturb you on this beautiful holiday!

I encounters a difficulty to understand meaning of below parameters or I should say I could not figured it out in which file I should set them:

(1) Wave function and potential expansion inside the muffin-tins are denoted by l_max_wf (with "wf" as superscript) and l_max_pot (with "pot" as superscript), respectively.

I know the l_max_wf can be set in case.in1(c)  (at second colum in second row of case.in1)
----------case.in1---------
WFFIL  EF= 0.50000       (WFFIL, WFPRI, ENFIL, SUPWF)
  7.00     10   4   ELPA pxq hm (R-MT*K-MAX,MAX L IN WF,V-NMT,lib,gridshape,hm/lm)  


In above 10 is know as l_max_wf.  am I right?

Could you please conform which is l_max_pot or in which file it can be set?


(2) In which file I can set energy cut off for the expansion of wave function in the interstitial, Ene_max_wf (with "wf" as superscript), and for the potential, E_max_pot (with "pot" as superscript) ?

Sincerely
Chin S.






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