LDAUTYPE=3
Posted: Mon Mar 10, 2008 10:36 pm
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
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