scissor_operator
Differences
This shows you the differences between two versions of the page.
| Next revision | Previous revision Next revision Both sides next revision | ||
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scissor_operator [2011/12/05 10:10] prokop created |
scissor_operator [2011/12/05 10:14] prokop |
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| Line 19: | Line 19: | ||
| sigmatol = 0.000001 | sigmatol = 0.000001 | ||
| max_scf_iterations = 100 | max_scf_iterations = 100 | ||
| - | dt = 0.5 | ||
| iqout = 0 | iqout = 0 | ||
| - | ismeagol=0 | ||
| ifixcharge = 0 | ifixcharge = 0 | ||
| &END | &END | ||
| Line 27: | Line 25: | ||
| &OUTPUT | &OUTPUT | ||
| iwrtcdcoefs = 1 | iwrtcdcoefs = 1 | ||
| - | iwrtHSrho = 0 | ||
| - | iwrteigen = 0 | ||
| - | iwrtdos = 0 | ||
| &END | &END | ||
| </code> | </code> | ||
| + | <code> | ||
| + | 12 | ||
| + | 8 -0.000000 0.006964 -0.307366 | ||
| + | 6 0.000000 -0.001848 1.561491 | ||
| + | 1 0.000000 -2.253742 1.713401 | ||
| + | 1 0.000000 2.250737 1.711678 | ||
| + | 6 0.000000 -1.242741 2.296730 | ||
| + | 6 0.000000 1.240398 2.295749 | ||
| + | 6 -0.000000 -1.240740 3.721606 | ||
| + | 6 -0.000000 1.239884 3.720292 | ||
| + | 1 -0.000000 -2.253492 4.301542 | ||
| + | 1 -0.000001 2.253787 4.299402 | ||
| + | 6 -0.000000 0.000210 4.460464 | ||
| + | 8 0.000000 0.000069 6.330528 | ||
| + | </code> | ||
scissor_operator.txt ยท Last modified: 2011/12/06 13:19 (external edit)
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