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Re: How to restart the SCF calculation? Input file example and command line example

sanya
sanya@photonics.ru


Just copy $VEC group from the PUNCH file of the previous run to the end of your new input file (it may be rather large!).

On Wed Feb 3 '10 7:09pm, Patrick SK Pang wrote
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>Dear all,

>Based on the manual, GUESS=MOREAD is used for restarting the SCF calculation. However, no examples for input files and command line are available. Could anyone give me suggestions?

>Regards,

>Patrick


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