[Wien] lapwso crash

2012-02-09 Thread Gavin Abo
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[Wien] lapwso crash

2012-02-09 Thread Nilton
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[Wien] Suggestion for LOPW error

2012-02-09 Thread David Tompsett
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

[Wien] Fwd: email for support mailing list

2012-02-09 Thread Celine Hin
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

[Wien] Suggestion for LOPW error

2012-02-09 Thread Laurence Marks
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