[xcrysden] problem in case.klist_band file

محمد ارشد فرحان arshadfarhan at hotmail.com
Tue Jul 3 11:06:59 CEST 2012


Dear Xcrysden Users & Developers,i'm using Xcrysden in conjunction with Wien2k. i have the latest versions of both.when i try to visualize fermi surface of a non magnetic material, it gives error as "Child killed: Segmentation Violation" this error does not occur to other magnetic cases.Also when i try to construct case.klist_band file, the multiplier is too large and the resulting file contains **** in place of k point coordinates.  few lines are copied in the following as example:
K.1           0    0    0*****  2.0-8.00 8.00    k-list generated by XCrySDen           3483    0    0*****  2.0           6966    0    0*****  2.0          10449    0    0*****  2.0          13932    0    0*****  2.0          17415    0    0*****  2.0          20898    0    0*****  2.0          24381    0    0*****  2.0          27864    0    0*****  2.0          31347    0    0*****  2.0          34830    0    0*****  2.0          38313    0    0*****  2.0          41796    0    0*****  2.0          45279    0    0*****  2.0          48762    0    0*****  2.0          52245    0    0*****  2.0          55728    0    0*****  2.0          59211    0    0*****  2.0          62694    0    0*****  2.0          66177    0    0*****  2.0          69660    0    0*****  2.0          73143    0    0*****  2.0          76626    0    0*****  2.0          80109    0    0*****  2.0          83592    0    0*****  2.0          87075    0    0*****  2.0          90558    0    0*****  2.0          94041    0    0*****  2.0          97524    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0          *****    0    0*****  2.0K.2       97524    0    0*****  2.0          98598    0-2593*****  2.0          99672    0-5186*****  2.0          *****    0-7779*****  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0          *****    0**********  2.0

it seems that it is due to the limitation of number of digits specified for the coordinates. 
Please help me with this.
Regards,M. Arshad Farhan

 		 	   		  
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