[Wien] Problem in running Joint

[Kalobaran Maiti]

Hi,

I have following troubles while calculating optical response.

1. After running the programme 'optic' in Wien2k_04 version, I do not get
the output file 'case.outmat'. Instead I see a output file 'case.symmat'.

2. In 'case.injoint' file I need to provide lower and upper bandindex. Can
you please let me know where to find these band index.

3. I see there are 100 entries for 'KP' in 'case.symmat' file. I copied
this file to a name as 'case.outmat' and put the lower and upper band
index as 1  100.

I get the following message and the program stops. Can anyone kindly tell
me, what the following message means while running joint. I am not able to
sort it out.

"allocated with kkk,nbindex         100        8001
  SUM OF WEIGHTS:    2.00000000000000
forrtl: severe (151): allocatable array is already allocated
Image              PC        Routine            Line        Source
joint              080AB4CC  Unknown               Unknown  Unknown"


I look forward to an answer soon.
Thanks a lot in advance.
regards
Kalo

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Dr. Kalobaran Maiti
Department of Condensed Matter Physics and Materials Science
Tata Institute of Fundamental Research
Homi Bhabha Road
Colaba, Mumbai-400 005
India

e-mail: kbmaiti at tifr.res.in

Phone: (+91) (22) 2280 4545 Extn. 2748 (Off.)/ 2671 (lab.)
       (+91) (22) 2280 4919 (Res.)

Fax:   (+91) (22) 2280 4610
       (+91) (22) 2280 4611

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