On 12.07.2015 12:31, Paresh Chandra Rout wrote:
And I have also attached some files of my system .
Still: > Gavin Abo > The given information is not enough to help.
1) File case.inso is under greatest suspicion, check and send it.
2) make in terminal
x lapwso -p -up -c
Check the output, it should be more clear.
3) Try to make a cycle in a sequential mode, not parallel (the
diagnostic is usually more informative). For this you can temporarily
decrease number of k-points.
Some comment to your struct file, formally it looks o'k, but in xcrysden
the structure seems not nice. Though, there are many wonders in nature...
Best regards
Lyudmila Dobysheva
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