2,652
edits
Problems: Difference between revisions
→IDXREF produces too short cell parameter(s)
| Line 128: | Line 128: | ||
1 0.0004199-0.0012633-0.0043826 2442. 0.97 -0.04 -0.00 | 1 0.0004199-0.0012633-0.0043826 2442. 0.97 -0.04 -0.00 | ||
2 0.0101757 0.0060701-0.0019630 2175. -0.03 -1.02 0.01 | 2 0.0101757 0.0060701-0.0019630 2175. -0.03 -1.02 0.01 | ||
3 -0.0076118 0.0114167-0.0040603 1965. 0.13 0.04 0.50 | 3 -0.0076118 0.0114167-0.0040603 1965. 0.13 0.04 0.50 <---- half-integer indices!? | ||
4 0.0100552 0.0071646 0.0025337 1944. -1.01 -0.99 0.01 | 4 0.0100552 0.0071646 0.0025337 1944. -1.01 -0.99 0.01 | ||
5 0.0072840-0.0101455 0.0084405 1841. -1.10 -0.01 -0.49 | 5 0.0072840-0.0101455 0.0084405 1841. -1.10 -0.01 -0.49 <---- half-integer indices!? | ||
6 0.0000976 0.0027828 0.0089584 1792. -2.00 0.00 -0.00 | 6 0.0000976 0.0027828 0.0089584 1792. -2.00 0.00 -0.00 | ||
7 0.0103103 0.0043851-0.0063902 1790. 0.98 -1.02 0.00 | 7 0.0103103 0.0043851-0.0063902 1790. 0.98 -1.02 0.00 | ||
8 0.0025742 0.0163995-0.0098507 1760. 0.95 -0.99 0.51 | 8 0.0025742 0.0163995-0.0098507 1760. 0.95 -0.99 0.51 <---- half-integer indices!? | ||
9 0.0068686-0.0089437 0.0128884 1724. -2.08 0.03 -0.49 | 9 0.0068686-0.0089437 0.0128884 1724. -2.08 0.03 -0.49 <---- half-integer indices!? | ||
10 -0.0174443 0.0123504 0.0161324 1694. -4.01 0.99 0.52 | 10 -0.0174443 0.0123504 0.0161324 1694. -4.01 0.99 0.52 <---- half-integer indices!? | ||
11 0.0272195-0.0050005-0.0136142 1678. 2.99 -1.97 -0.50 | 11 0.0272195-0.0050005-0.0136142 1678. 2.99 -1.97 -0.50 <---- half-integer indices!? | ||
... | ... | ||