- 18 Aug, 2017 2 commits
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Gregor Michalicek authored
As some parts of the Wannier code rely on JPHs modified Wannier90 libraries wannier4.a and wannier5.a I now differentiate between them and the official version. wannier4.a and wannier5.a are only needed for certain code parts.
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Gregor Michalicek authored
Note: The test does not yet search for such a library.
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- 17 Aug, 2017 1 commit
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Gregor Michalicek authored
It looks like we are reaching testing/debugging phase.
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- 16 Aug, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: There is still some additional work required in fleur.F and maybe also in other files.
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- 15 Aug, 2017 2 commits
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Gregor Michalicek authored
In this commit there mainly are some adaptions to the new eigenvector I/O.
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Gregor Michalicek authored
...and also completely re-layouted that file. @Daniel: You will probably hate me for this. Sorry! ;)
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- 14 Aug, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 11 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
It can now be specified according to the following example: &atom element="Na" id=11.1 name="mySodium" /
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- 10 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 09 Aug, 2017 4 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: The Wannier code is not yet connected to the main code
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Gregor Michalicek authored
It is needed for the Wannier code.
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Gregor Michalicek authored
This is needed for the Wannier code and for GW.
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- 08 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
...I now reached linker error phase.
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Gregor Michalicek authored
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- 07 Aug, 2017 4 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 04 Aug, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 03 Aug, 2017 6 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 02 Aug, 2017 3 commits
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Gregor Michalicek authored
The problem was that some arrays had predefined sizes that were not adapted to the actual problem. I changed this for some arrays now but there are still some other arrays that may become a problem at some point, too.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 01 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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