QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on November 3, 2015, 23:24

Title: Region-dependent "c" parameter for MGGA-TB09
Post by: ramkrishna on November 3, 2015, 23:24

Hi All,
In the new feature option I have seen a "Region-dependent "c" parameter for MGGA-TB09". Can you please let me know how to implement that? Just like region, is possible to specify for a particular atom within the crystal?

Thanks
Ramkrishna

Title: Re: Region-dependent "c" parameter for MGGA-TB09
Post by: Umberto Martinez on November 4, 2015, 11:52

An example of the region dependent c parameter for MGGA is reported in the Reference Manual here:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.exchangecorrelation.html