hi,
I've been trying some test with the LDA+u method for my system and I found that when I use LDAUTYPE=4 that the system hangs/crashes/just stops working without actually stopping according to the OS. When I use LDATYPE=3(this value actually isn't supported) vasp runs smoothly and gives results. In the outcar I find LDAUTYPE to be set to 3...now what does this mean?
Does Vasp run a type 1 or 2 when I set it to LDAUTYPE=3 or is 4 just a typo for 3 in the manual?
thx
Danny
LDAUTYPE=3
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Danny
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LDAUTYPE=3
Last edited by Danny on Mon Mar 10, 2008 10:36 pm, edited 1 time in total.
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Danny
- Full Member
- Posts: 201
- Joined: Thu Nov 02, 2006 4:35 pm
- License Nr.: 5-532
- Location: Ghent, Belgium
- Contact: