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by Niek
Mon Oct 12, 2015 3:50 pm
Forum: Bader
Topic: Bug in reading CHGCAR when atomic coordinates are negative
Replies: 0
Views: 21799

Bug in reading CHGCAR when atomic coordinates are negative

Hi, I think I found a small bug in the function reading CHGCAR-files. When there are negative values in the positions of the atoms their positions are read in without the minus signs, e.g. for this set of coordinates: Direct 0.633302 0.832574 0.480461 0.366698 0.167426 0.519539 -0.015159 0.601853 0....