[Wien] Large no of K-points in optical calculations

[Chukwuemeka Okoye]

 Dear Wien users,
 
I am trying to calculate optical properties with up to 10,000 k-points in the IBZ. However, while executing
x joint -up I got the following : STOP  nst. gt. nkpt.
 
I then had to increase the no of k-points in SRC_joint/param.inc to 15,000 and the following errors were obtained when I executed 'make'  in arbdos.f:
 
Line 23: REAL *4  OPMAT 
Array "opmat" at (^) is too large to handle. 
arbdos.f : outside of any programs unit.
arbdos: 23:size of variable "opme_" is too large 
 
I went further to reduce the no  NKPT in SRC_joint/param.inc to 5000 but now got segmentation fault when I excuted  x joint -up
 
Please I need your suggestion on how to get over this.
 
 Emeka 




Chukwuemeka M. I. Okoye,

Department of Physics and Astronomy,

University of Nigeria,Nsukka,

Enugu State,NIGERIA

234-042-771611


---------------------------------
Do you Yahoo!?
New Yahoo! Photos - easier uploading and sharing
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20031217/2baa17c3/attachment.html