LMAXPAW (What does "LMAXPAW = -100" means???))

Message

jdasilva · #1 Post by **jdasilva** » Mon Oct 30, 2006 7:52 pm

Dear VASP developers

I am doing calculations using the PAW method as implemented in VASP.

In the user guide (section PAW control flags), it is written that
the defaut parameter for LMAXPAW is 2*lmax.

However, in my calculations, I find only LMAXPAW = -100 in the OUTCAR.

(1) What does "LMAXPAW = -100" mean?

(2) Is the code using the correct value for LMAXPAW, i.e., LMAXPAW = 2*lmax (defaut according to the usersguide)???

Thanks in advance
Juarez

#2 Post by **admin** » Wed Nov 15, 2006 4:33 pm

this -100 just indicates that you have not specified LMAXPAW in INCAR explicitely. In that case, the default value (calculated from the pseudopotential) is used for the run.

jdasilva · #3 Post by **jdasilva** » Wed Nov 15, 2006 10:46 pm

Thanks for the information.
Juarez