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7.5 Assigning punch files (PUNCH)

PUNCH,filename,[REWIND]

Opens punch file named filename. If this file already exists, it is appended, unless the REWIND or NEW option is specified; in that case, any previous information on the punch file is overwritten. See FILE for machine dependent interpretation of filename. The punch file contains all important results (geometries, energies, dipole, transition moments etc). It can be read by a separate program READPUN, which can produce tables in user supplied format.

Example:

PUNCH,H2O.PUN
allocates punch file H2O.PUN
Note that the file name is converted to lower case on unix machines.



molpro@molpro.net 2017-12-14