Hello to you all
I'm trying to run a structure made of 16 atoms using 100 k-points (resulting in
12 k-points in the irreducible brillouin zone) on a machine with 4 cores with
hyper-threaring, thus 8 threads available, and 4Gb of RAM.
I tried to run run_lapw -p -fc 1 -NI using a .machines file:
Yes :) a small fix and it worked like a spell.
Thank you so much for the (very) quick help!
Hi,
Your problem seems to be due to a rounding error.
If you replace 0. by 0.6667 (twice) it will work.
F. Tran
On Mon, 14 May 2012, aeljarrat at el.ub.edu wrote:
Dear WIEN2k Users
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