[Wien] lapw2 crashed in WIEN2k_05

stargmoon stargmoon at yahoo.com
Sun Feb 13 19:42:29 CET 2005


Dear Wien2k community,
 
I am running WIEN2k_05 with LDA+U correction with k-points parallel. After initialization, I run three iterations with option -so,  and everything is perfect, then I switched option -orb on. However, at the second iteration after I switched on -orb option, the program stopped with LAPW2 crashed.  I got two error files,  they are upsumpara.error and uplapw2.error. But no details in these two files. That is, there is no clue for me what happened in my calculation.  Have you ever met such kind of problem? Do you have some suggestions for me?
 
Looking forward to your kind reply!
 
Stargmoon

		
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