[Wien] Problem about the optic calculation

[Elias Assmann]

On 08/13/2014 08:05 AM, 田丰 wrote:
> 1. normal SCF run.
> 2. change the 'tetra' in file .in2 to 101.
> 3. run step by step of Optic in w2web.
>
> However when I click 'x joint -up(dn)' error message is reported as
> following:
>
>   opmat allocated with kkk,nemax1,ncol         560          12           2 (
>             0  MB)
> forrtl: severe (24): end-of-file during read, unit 4, file
> /home/lapw/fccNi.weightup

You need to run ‘x lapw2 -fermi’ to get the ‘weight’ files.


-- 
Elias Assmann
Institute of Solid State Physics
Vienna University of Technology
<http://www.ifp.tuwien.ac.at/cms/>