load command


NAME

  load -load wavefunction file

SYNOPSIS

  load file

DESCRIPTION

The load command reads wavefunctions from the file given as an argument. A commonly used file extension for wavefunction files is ".wf". Wavefunctions files are written using the save command. Note that wavefunction files are unformatted and are therefore not portable across platforms using different byte orders (little-endian or big-endian). The gp_wftrans utility can be used to convert wavefunction files from little-endian (ANSI/IEEE Std 754) to big-endian format and back.

A wavefunction file may contain more or fewer electronic states than are defined in the current GP session when the load command is issued. If the wavefunction file contains fewer electronic states, GP will fill in with electronic states made of single plane waves. If the wavefunction file contains more electronic states, they are ignored and only the necessary amount is loaded.

RELATED INFORMATION

save



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