Dear Wien2k users,
I have installed the Boltztrap code in my Laptop having processor Intel®
Core™ i3-5010U CPU @ 2.10GHz × 4, OS 64-bit. I have installed the ubuntu
14.04 LTS OS in my laptop, after running the program from the directory
/home/saurabh/program/boltztrap/src I added the following
saurabh singh píše v St 16. 12. 2015 v 20:26 +0530:
> Dear Wien2k users,
>
> I have installed the Boltztrap code in my Laptop having processor
> Intel® Core™ i3-5010U CPU @ 2.10GHz × 4, OS 64-bit. I have installed
> the ubuntu 14.04 LTS OS in my laptop, after running the program from
> the
Dear all
Can we use same method to calculate elastic constant for tetragonal system
as we do for cubic system?
--
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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Hi,
MSR1 and PRATT (not PRRAT) should obviously lead to the same results
as long as you let the calculations run until they are sufficiently
well converged. By default a calculation stops after 40 iterations
even if the convergence criteria are not reached. Execute run_lapw with
option "-i 100"
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