QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: anshul12 on September 15, 2012, 19:14

Title: DFT LCAO BASIS SET
Post by: anshul12 on September 15, 2012, 19:14

Dear QuantumWise,

please send me link or free downloaded eBooks or pdf file for study of nano parameter. bcoz i have more doubt in atk.

1. function of basis set .please clarify basis set parameter like as, szp,szsp dz ,dzp,dzdp.

thanks  &regards

Title: Re: DFT LCAO BASIS SET
Post by: kstokbro on September 17, 2012, 18:22

see:
ww.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/chap.atkdft.html#sect2.atkdft.basisset.parameters