[Wien] plane wave exhausted

wasim raja Mondal wasimr.mondal at gmail.com
Fri Jun 14 13:57:52 CEST 2013


Dear wien2k experts,

 I am running one  peroskite  structure. Initially I was facing dtsrt
error. But with the help from Lyudmila I have solved the problem and there
is no error in the initialization process. But when I am running scf I am
getting the following error:

Error in LAPW1
 'LOPW' - Plane waves exhausted


The possible reason for the this error is:

(1) Increase the RK max value

(2) see the precession for the atomic position which is sensitive for space
group 194. For example
       0.33367 should be o.33366667

(3) change  lo+apw.

possibility 1 and 2 I have done. For (1) I have set rk value up to 9.5 and
for (2) I have carefully checked. But I am getting same error. For the
third I have not checked because I donot know how to do this. I am using
wien2k_12. I am attaching the structure file and *.rsp file.
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