[Wien] Problem about the optic calculation

[田丰]

Dear all:

I am calculating the optic properties of nickel with w2web. However when I try to include the intraband contributions I always get error message. The steps I am following as:

1. normal SCF run.
2. change the 'tetra' in file .in2 to 101.
3. run step by step of Optic in w2web.

However when I click 'x joint -up(dn)' error message is reported as following:

 opmat allocated with kkk,nemax1,ncol         560          12           2 (
           0  MB)
forrtl: severe (24): end-of-file during read, unit 4, file /home/lapw/fccNi.weightup
Image              PC        Routine            Line        Source            
joint              0808BB79  Unknown               Unknown  Unknown
joint              080556E3  MAIN__                    426  joint.f
joint              08049BB7  Unknown               Unknown  Unknown
libc.so.6          400BCA83  Unknown               Unknown  Unknown
0.0u 0.0s 0:00.01 0.0% 0+0k 0+16io 0pf+0w
error: command   /home/WIEN2k_13/joint upjoint.def   failed


What is problem? 

The .inop files as:

99999 1       number of k-points, first k-point
-5.0 3.0 9999 Emin, Emax for matrix elements, NBvalMAX
2             number of choices (columns in *outmat): 2: hex or tetrag. case
1             Re xx
3             Re zz
OFF           ON/OFF   writes MME to unit 4

Choices:
1......Re <;x>;<;x>;
2......Re <;y>;<;y>;
3......Re <;z>;<;z>;
4......Re <;x>;<;y>;
5......Re <;x>;<;z>;
6......Re <;y>;<;z>;
7......Im <;x>;<;y>;
8......Im <;x>;<;z>;
9......Im <;y>;<;z>;


The .injoint file as:

    1  9999 9999              : LOWER,UPPER and (optional) UPPER-VAL BANDINDEX
   0.0000    0.00100   1.0000 : EMIN DE EMAX FOR ENERGYGRID IN ryd
eV                            : output units  eV / ryd  / cm-1
     6                        : SWITCH 
     2                        : NUMBER OF COLUMNS
   0.1  0.1  0.3              : BROADENING (FOR DRUDE MODEL - switch 6,7 -
ONLY)

SWITCH:

   0...JOINTDOS FOR EACH BAND COMBINATION 
   1...JOINTDOS AS SUM OVER ALL BAND COMBINATIONS
   2...DOS FOR EACH BAND
   3...DOS AS SUM OVER ALL BANDS
   4...Im(EPSILON) 
   5...Im(EPSILON) for each band combination
   6...INTRABAND contributions
   7...INTRABAND contributions including band analysis

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