[Wien] forces and APW+lo

[georg at chem.au.dk]

Quoting Leonardo Pisani <pisani at itp.uni-frankfurt.de>:

> Dear Wien users,
> 
> in wien2k forces are implemented following Kohler et al. for the LAPW
> basis.
> Are they automatically implemented also for the APW+lo basis ?

There are some corrections due to the different kinetic energy operator. Have a
look in 
PRB 64 195134

 Best wishes Georg

-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885