[Wien] elastic constants calculaions for hexagonal structure
Pooja Rana
pooja_fizix at ymail.com
Tue Jul 19 09:31:49 CEST 2011
Respected Prof. Blaha and Dear all Wien2k users
Sir, Presently I am doing calculations for elastic constants for hexagonal structure (wurtzite).
For this I have installed hexagonal elastic constant package according to instructions given users mannual for this and start calculations in hexagonal structure.
But it shows some errors during these calculations:
1. NN-error at every Rmt value.
On ignoring this and procceeding forward, calculations finishes successfully.
But at last step "ana_elastic_lapw" it shows an error again,
2. case.outputeos file is not found.
Due to which no result found for elastic constants.
Please suggest me how to rectify this problem.
with regards,
Pooja Rana
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