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Output files

In case of 'level.of.fileout=0', the following files are generated. In the following, '*' is the file name specified by the keyword 'System.Name'.

In case of 'level.of.fileout=1', the following Gaussian cube files are generated, in addition to files generated in 'level.of.fileout=0', In the following, '*' is the file name specified by the keyword 'System.Name'.

In case of 'level.of.fileout=2', the following files are generated in addition to files generated in level.of.fileout=1, In the following, '*' is the file name specified by the keyword 'System.Name'.

If 'MO.fileout=ON' and 'scf.EigenvalueSolver=Cluster', the following files are also generated:

If 'MO.fileout=ON' and 'scf.EigenvalueSolver=Band', the following files are also generated:

If 'Band.Nkpath' is not 0 and 'scf.EigenvalueSolver=Band', the following file is also generated:

If 'Dos.fileout=ON', the following files are also generated:

If 'scf.SpinPolarization=NC' and 'level.of.fileout=1' or '2', the following files are also generated:


next up previous contents index
Next: Functional Up: User's manual of OpenMX Previous: Keywords   Contents   Index
t-ozaki 2013-05-22