[Wien] 'LOPW' - Plane waves exhausted

thanks for any suggestions! Best regards, Florian Meirer Florian Meirer (PhD) MiNALab - Center for Materials and Microsystems - irst FBK - Fondazione Bruno Kessler

[Wien] 'LOPW' - Plane waves exhausted

here is the attachment (struct file) - sorry 2012/5/2 Florian Meirer fmeirer.wien2k.mlist at gmail.com: Dear Wien2k users, I am having a problem with a supercell calculation: - I am running wien version 11.1 (Release 14/6/2011) on a Intel XEON X5650 @ 2.67Ghz (2 Processors), 24Gb RAM

[Wien] 'LOPW' - Plane waves exhausted

in your calculation by looking at case.in1. I don't think you should have, but maybe. You can also look in case.output1_* to see where they stop. It may be that you can change to LAPW for the d in case.in1 (I expect by default it is APW+lo). On Wed, May 2, 2012 at 9:59 AM, Florian Meirer

[Wien] 'LOPW' - Plane waves exhausted

Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On May 2, 2012 11:29 AM, Florian Meirer

[Wien] 'LOPW' - Plane waves exhausted

://www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On May 2, 2012 11:29 AM, Florian Meirer fmeirer.wien2k.mlist at gmail.com mailto:fmeirer.wien2k.mlist at gmail.com wrote: ? ?Thanks for the fast reply