[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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