TURBOMOLE Users Forum

TURBOMOLE Modules => Mpgrad and Rimp2 => Topic started by: tayed on January 26, 2012, 10:37:11 AM

Title: RIMP2-wavefunction
Post by: tayed on January 26, 2012, 10:37:11 AM

Hi everybody,

I want to know what's the name of the file containing the MP2 wavefunction? and what are the keywords using to have this file.

Thanks in advance.

Any help will be welcome

Title: Re: RIMP2-wavefunction
Post by: christof.haettig on September 25, 2015, 07:52:51 PM

There is no such file. You probably meant the first-order (MP1) amplitudes from which the MP2 energy is computed. But saving them on files would be incompatible with the effiency of RI-MP2