Regarding when to start Yambo calculations..
Posted: Sat Mar 01, 2014 8:38 am
Dear All
This might sound too simple.. But when do I run TDDFT calculations? I mean once my sample has attained the LOWEST energy configuration. And ofcourse it is done using ABINIT. So once this is done, I will have the wavefunctions and db1 file which will be taken as i/p by Yambo.. Am I correct or am missing something?
I have ABINIT parallel version installed and yet to start using Yambo. Please help people.. Also how to analyze the o/p generated by Yambo?
Regards,
This might sound too simple.. But when do I run TDDFT calculations? I mean once my sample has attained the LOWEST energy configuration. And ofcourse it is done using ABINIT. So once this is done, I will have the wavefunctions and db1 file which will be taken as i/p by Yambo.. Am I correct or am missing something?
I have ABINIT parallel version installed and yet to start using Yambo. Please help people.. Also how to analyze the o/p generated by Yambo?
Regards,