[Wien] update-packages

[Osama Yassin]

Dear J Morteza and Wien2k user

I have installed IR elastic (Cubic) for calculating the elastic constant of
the Half Heusler alloy CoTiSb (can be written TiCoSb). The space group
should be No 216 (F -43m) as Wien2k produces by sgroup. This is consistent
with its structure. However, For calculating the elastic constant I noted
that IR elast produces the space group No. 22 (F222) as shown below:
---------------------------------------------------------------------------------------------------------------
Start for AUTO intialization Styp1__4.0
##########################################
 3 Atoms found: Co Ti Sb
generate atomic configuration for atom 1 : Co
generate atomic configuration for atom 2 : Ti
generate atomic configuration for atom 3 : Sb
next is setrmt
 specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax
(about
  1.d-5, 20)]
 DSTMAX:   20.0000000000000
 iix,iiy,iiz           4           4           4   42.6902880000000
   44.5403160000000        46.2478120000000
 NAMED ATOM: Co1       Z changed to IATNR+999 to determine equivalency
 NAMED ATOM: Ti1       Z changed to IATNR+999 to determine equivalency
 NAMED ATOM: Sb1       Z changed to IATNR+999 to determine equivalency

    ATOM  1  Co1        ATOM  3  Sb1
 RMT(  1)=2.32000 AND RMT(  3)=2.32000
 SUMS TO 4.64000  LT.  NN-DIST= 4.81905

    ATOM  2  Ti1        ATOM  1  Co1
 RMT(  2)=2.26000 AND RMT(  1)=2.32000
 SUMS TO 4.58000  LT.  NN-DIST= 4.81905

    ATOM  3  Sb1        ATOM  1  Co1
 RMT(  3)=2.32000 AND RMT(  1)=2.32000
 SUMS TO 4.64000  LT.  NN-DIST= 4.81905
NN ENDS
0.000u 0.002s 0:00.01 0.0%      0+0k 24+48io 0pf+0w
>   sgroup      (20:47:13) 0.000u 0.000s 0:00.00 0.0%   0+0k 0+8io 0pf+0w
  Names of point group: 222    222    D2
  Names of point group: 222    222    D2
  Names of point group: 222    222    D2
Number and name of space group: 22 (F 2 2 2)
>   symmetry    (20:47:13) 0.000u 0.001s 0:00.01 0.0%   0+0k 16+32io 0pf+0w

I checked the the atomic positions and found nothing wrong.

Can you please tell us why the space group is F222 rather than F -43m.

Best regards

O A Yassin
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