Reading additional input

The option input_flags enables you to read additional input from various files. The flags for the various inputs you want to read are concatenated by underscore.

input_flags flag1_flag2_flag3 (sets 3 input flags)

Implemented flags:

• wavefn reads wave functions from a previous calculation as a starting guess for the iterative diagonalization. It is generally safer not to use this option, because the eigenvectors can be really bad if the structure is different, causing the diagonalization routine to bomb out.
• chkptchi reads the intermediate results from a previous nmr shift calculation. The data must be in a file CHKPTCHI.x, where x is the number of the processor. Make sure you don't read in garbage from the checkpoint file!