[Wien] Regarding Bandstructure

[sikandar azam]

Dear All
I have problem in calculating the band structure, so i saw this email on the wien2k site

Thank you very much for this report and the analysis. It will be updated in the next version of WIEN2k. Am 16.01.2012 18:30, schrieb Muechler, Lukas:
>Hey everyone, >>I've bee having an issue with plotting the bandstructure of large supercells with SOC, as can also be found in the Mailingslist for several cases. >>The error that occurs is as follows >>" number of k-points read in case.vector=  (something) >forrtl: severe (174): SIGSEGV, segmentation fault occurred" >>I noticed that this only occurs when systems with a large number of bands are used, so I looked into spagh.f and found this: >------------------------------------------------------------------------------------------------- >! >!.....ALL K-VECTORS HAVE BEEN READ; SEARCH FOR K-POINT WITH SMALLEST >!     NUMBER OF EIGENVALUES >! >200  continue >nu_min=999 >write(*,*) 'number of k-points read in case.vector=',n_kpt >do 205 j=1,n_kpt >if (n_ene(j).lt.nu_min)  then >nu_min=n_ene(j) >k_min=j >endif >205  continue >write(6,*) 'smallest number eigenvalues at k=',k_min,' (',& >k_name(k_min),')' >write(6,*) '         =',nu_min
 >------------------------------------------------------------------------------------------------- >>Since the program stops at this point and the number of bands in my case (heavy atoms) is larger than 999, I increased it to 1500 and now it works. >The bandstructure looks good aswell, so I think this number should be higher than 999. >>Best, >>Lukas Muechler


But in my calculations i couldn't find thisspagh.f file. So please can some one help me that how i can reach to this file.
Regard 
Sikander
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140225/ad120d6c/attachment.htm>