Replies : 1 Last Post : June 18, 2016 (Sat) 22:28:34
Problem of DOS
Posted on : June 16, 2016 (Thu) 21:11:40
Hello dear professor, I am writing to you ask for help about running calculations on the code CPA, I just run a calculation on cap back then it gives me the results of up-spin only, I also love to know is that the code can make back calculations for a compound can a significant example that contains 10 atoms.
Thank you in advance for your help
[Re:01] Problem of DOS
Posted on : June 18, 2016 (Sat) 22:28:34
by Hitoshi GOMI
I have some experiences of calculation with more than 10 atoms, so maybe I can help you.
But, I cannot understand what is your problem.
Would you please explicitly answer all of following four questions?
1. What did you do?
(including, at leaset, input file, and possibly parametes in specx.f)
2. What did you expect?
3. What did the code output?
4. What is the problem?
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