[Wannier] Restart in library mode with VASP

Conn ORourke conn.orourke at yahoo.co.uk
Tue Jun 14 16:22:56 CEST 2016


Hi All, 

I am attempting to restart wannier90 run, in library mode using vasp, but it doesn't seem to work. 

>From the manual I gather that 

restart = default 

should be the setting to get the wannierisation procedure to restart using the wannier90.chk file, but it seems to start from the beginning of the run.
I have a wannier90.win file with:
 num_wann =  1632  ! set to NBANDS by VASP

 exclude_bands : 1633-1984

write_xyz = T Write *.xyz file
num_dump_cycles = 200
num_iter = 100000
gamma_only = T
restart = default
conv_tol = 1E-04
conv_window = 2

use_bloch_phases = T

begin unit_cell_cart
    15.8580660    -0.0483570    -0.0387720
    -0.0485530    15.8487510    -0.0334480
    -0.0388890    -0.0344920    15.9051820
end unit_cell_cart
...

And the .chk file has been written out from a previous run.
Is this something to do with the code being used in library mode from VASP, and if so how to I force the restart procedure to work correctly?
Many thanks, 
Conn


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