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Dear All,
There have been several discussions over the past year regarding errors of
LOPW plane waves exhausted in high symmetry cells. I have recently come
across the same problems in a cubic (space group 212) cell. I could only
avoid them by taking RKmax up to 9.5. This however, seems to be near
Dear WIEN2k users,
We are trying to run w2web but we found the following problem:
The w2web has been configured to use queuing system by editing the
configuration and adding the line
qsub=cat %f > w2web-job;qsub-wienjob_lapw
When I try to execute the run using this execution type.
I get the fo
You are right in part that the issue with orthogonality only became
apparent with MSR1a, and was hidden before. However, rather than
turning it off there is a different patch (from Peter) which may
already be in the web version and/or was sent by email to the list.
What it does it first try the mor
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