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added a pc calc for ascci files produced by outcar2moldyn ...
[physik/posic.git]
/
vasp_tools
/
2009-09-13
hackbard
added a pc calc for ascci files produced by outcar2mold...
tree
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commitdiff
2009-09-10
hackbard
total energies printed out too
tree
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commitdiff
2009-08-26
hackbard
care for appendices
tree
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commitdiff
2009-08-26
hackbard
a more generic trafo tool
tree
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commitdiff
2009-08-20
hackbard
added a temp check (still sth is wrong!)
tree
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commitdiff
2009-08-20
hackbard
more easy ...
tree
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commitdiff
2009-08-20
hackbard
more trafo (still sth is wrong!)
tree
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commitdiff
2009-08-20
hackbard
added trafo c code
tree
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commitdiff
2009-08-12
hackbard
added trafo file (not working correctly by now) + mods...
tree
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commitdiff
2009-08-07
hackbard
feature: displacement instead of time
tree
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commitdiff
2009-08-07
hackbard
decreased output + parse all OUTCAR* files
tree
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commitdiff
2009-08-07
hackbard
feature to fix atoms at x=0 or y=0 or z=0
tree
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commitdiff
2009-08-05
hackbard
forgot the lattice constant
tree
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commitdiff
2009-08-05
hackbard
convert POSCAr files to moldyn xyz output
tree
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commitdiff
2009-07-27
hackbard
method 2 working now ...
tree
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commitdiff
2009-07-24
hackbard
read in free taom energy ...
tree
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commitdiff
2009-07-16
hackbard
added free energies of Si and C for 650 eV cut-off...
tree
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commitdiff
2009-07-13
hackbard
consistent 110 direction
tree
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commitdiff
2009-07-08
hackbard
well, sure, just increment each basis by 1 ... (should...
tree
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commitdiff
2009-07-08
hackbard
added 3 basis types ... seems to work (checking right...
tree
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commitdiff
2009-07-08
hackbard
added some helper tools for vasp usage
tree
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commitdiff