[Wien] on weight of E(n,k) in lapw2

whoming at sohu.com whoming at sohu.com
Wed Oct 26 03:42:41 CEST 2005


Dear all,
           I find that when setting TEMP or GAUSS in case.in2(c), there will be no data in the case.weight file. And from the source code, I could figure that it perhaps do the calculation of the weight for every eigenvalue E(n,k) when setting is GAUSS or TEMP. But I don't kown why there's no output to the case.weight file. Perhaps, the code write the results to the case.weigh file in binary format. Am I right?
          So would you please give me some hint on how to get the weight for every eigenvalue E(n,k) when setting is TEMP or GAUSS?
          Thank you very much!
Yours,
Hongming Weng
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20051026/d528f95a/attachment.html


More information about the Wien mailing list