QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jdgayles16 on May 21, 2010, 23:09

Title: reinitialize a job
Post by: jdgayles16 on May 21, 2010, 23:09

Is it okay to reinitialize a job with a different mesh cutoff, all other parameters the same?

Title: Re: reinitialize a job
Post by: Anders Blom on May 21, 2010, 23:28

Yes. You can even change the k-point sampling and a lot of other parameters. The only thing which will make the code object is if you change the atoms (except the coordinates, those are ok to change) or basis sets. Put in another way, the matrix layout of the old and new system must match.