[Pw_forum] Visualization of Local DOS

[Brad Malone]

Actually, when I tried plotting with the pp.x program I got the following
error:

>      task #         0
>      from set_fft_dim : error #         1
>      input nr1 value not allowed
>

The top of my local density of states file is:

>       45      45     108      45      45     108      24       2
>      0  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
> 0.00000000
>     10.75226179600000       -5.1673100000000005E-004
> 3.7165372000000003E-002
>   -5.1773999999999996E-004    10.75226235600000       -
> 3.7164016000000002E-002
>    8.8574731000000000E-002  -8.8575347000000004E-002    25.38119132300000
>
>         4.0528473457        4.0000000000       40.0000000000    10


So the progam has an issue with the number '45' it appears.  Is there some
reason why this shouldn't be allowed?  I saw that the requirements for nr1
to be 'allowed' or not is the same in v2 and it is in v3, looking at the
set_fft_dim.f90 file.  Is there perhaps another difference as to why the FFT
value isn't allowed?

I could of course do the entire calculation over on the system with v3, but
it takes a decent amount of time so I'd prefer to not if I can get away with
it, especially since I don't know for sure if that would fix the problem.

Thanks again,
Brad,
UC Berkeley
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