[Wien] steps for GGA+U method

[Gavin Abo]

1) Select GGA during init_lapw (or later by modifying case.in0) [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07478.html 
]

As described in section "4.5.6 Orbital potentials" on page 47 in the 
WIEN2k 14.2 usersguide [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ]:

2) Create case.inorb and case.indm (or indmc if the calculation is 
complex) [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07655.html 
]
3) Run the spin-polarized calculation with the -orb flag: runsp_lapw 
-orb [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05434.html 
]

On 5/29/2015 5:55 AM, Sayah Jamal wrote:
> Dear Prof. Blaha and users
> Can anyone tell me the steps to be carried out for GGA+U method
>
> Thanks in advance
>  Regards
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