[Wien] berryPI code

[Elias Assmann]

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On 09/09/2015 06:22 PM, nilofar hadaeghi wrote:
> I really thank You. I will try to find these lines in the source 
> code of w2w but any further help would be desirable. BerryPI
> Version 1.2 Python version: 2.7.3 Numpy version: 1.6.2

At least on the first level, this is a problem in w2w, so I do not
think the BerryPI version is relevant, much less Python of numpy.

Assuming you are using the latest Wien2k version (WIEN2k_14.2 (Release
15/10/2014)) and the wien2wannier version distributed with it, the
‘Id:’ lines I asked for (which give the precise version of the file)
would be

> grep Id: almgen.F main.f l2mmn.f
almgen.F:!!! $Id: almgen.F 167 2014-02-03 09:43:33Z assmann $
main.f:!!! $Id: main.f 199 2014-04-11 16:18:29Z assmann $
l2mmn.f:!!! $Id: l2mmn.f 167 2014-02-03 09:43:33Z assmann $

Please tell me if that is correct.

I looked at the differences between those versions and my most recent
ones, but I did not find any differences that seem relevant to your
error, which would mean that the error should still occur in the
development version.

Bottom line: if you are not using the Wien2k 14.2, please upgrade and
try again.  If you are, please send me the struct file and init
parameters for which the error happens, so I can try to reproduce it.


	Elias

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