subject:"\[Wien\] lapw1 failed"

[Wien] lapw1 failed

2011-04-30 Thread Peter Blaha

But check the final results with RKMAX 3 or 3.5 !! Am 29.04.2011 23:44, schrieb Yang Ding: Dear prof. Marks, I reduced the Rkmax to 2.5 , and now calculation is going well. Many thanks for the help! best regards, Yang Ding On 4/28/2011 11:49 PM, Laurence Marks wrote: The size/plane

[Wien] lapw1 failed

2011-04-28 Thread yangd...@aps.anl.gov

Dear WIEN users, I am using WIEN10.1 to calculate the CO(C5H5)2 (structure file is attached). However, I always got error message during lapw1 process. There is no detailed error information in the lapw1.error file except for Error in LAPW1. The Dayfile and STDOUT messages are listed as