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TODO
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TODO
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@ -1,4 +1,4 @@
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TODO LIST - 7 june 2005
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TODO LIST - 24 aug 2005
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BUGS TO EXAMINE
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@ -33,6 +33,8 @@ COMMON
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- data files: What is exactly the status of file compatibility
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between PW and CP/FPMD?
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- better-structured (easily parsable) output format: XML?
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- fix shift in eigenvalues between CP/FPMD and PW
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The eigenvalues should be the same
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Total energies for charged systems should also be the same
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@ -110,8 +112,7 @@ PH, D3, Gamma, Raman
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- use charge mixing instead of potential mixing
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- finish simplification of phonon dispersion calculation:
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move all phonon-specific stuff (symmetry etc) from pw into phonon
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- move all phonon-specific stuff (symmetry etc) from pw into phonon
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- same input for Gamma and PH
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@ -124,8 +125,10 @@ DOCUMENTATION
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- single source (xml?) for text file, GUI help file, user guide
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(Tone?)
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- examples for some features (notably variable cell) still missing
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automated testing procedure: how to deal with numerical differences?
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- examples for some features (e.g. variable cell, many postprocessings)
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still missing
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- automated testing procedure
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- expand and update the manual; add a list of FAQ, or of already
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answered questions
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