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Contents of output
files Here are the output files produced by NEIGHBOURS (e.g. examples for formic acid) Standard output (Unit 6) Questions which require a user response are written here, normally to the screen. Only the instruction
TYPE I FOR INTERACTIVE MODE is written, and can be ignored.(See also fort.23) |
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| fort.7 | ||||
| Write out of fdat
information as read in. |
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| fort.8 | ||||
| Symmetry operations
of system. |
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| fort.10 | ||||
| An spf file. A fairly
free format used by CSD PLUTO and
PLATON
to deduce reduced cell. |
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| fort.20 | ||||
| Symmetry interface
file for DMAREL 3.01. Essential for DMAREL run, a file containing the crystal
information. |
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| fort.21 | ||||
| Information about
symmetry analysis. |
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| fort.22 | ||||
| It writes an input
file that can be used to run NEIGHBOURS non-interactively. |
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| fort.23 | ||||
| This is a file to
which the screen output is written if you use non-interactive
mode. |
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| file.dmain | ||||
| DMAREL input file. |
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| file.ccl | ||||
| A file containing close contacts list. | ||||
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| file.mac | ||||
| A MACRO file. | ||||
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| file.nem | ||||
| A NEMESIS file. | ||||
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| file.nnl | ||||
| A file containing
nearest neighbours list within molecule. In the molecule, the nth nearest
neighbouring atoms are separated by a covalent bond. |
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