I want to know how to perform a population analysis using GAMESS for TDDFT calculations ,
Thank You,
Add tdprp=.t. iroot=n in tddft section, where n - sequence number of the state of interest
Thank you Oleg Gromov ,I also like to know that will it make a separate file such as .dat or .wfn to analysis ..?However I made a calculation using AIMPAC keyword but after the calculation without any error I could not find out the file in the input/output destination path.Please help since l am a novice.
Iresh,
In your rungms (or something like that) script some other folder for punch (or .dat) files can be specified, so files containing $vec groups can be in a folder named, for example, scr. Just either look around for such folders, or look in the script.
Saisudhakar,
For gaussian you can try multiwfn program (though with some options for gaussian logging turned on), I have never tried it (likewise I have never used gaussian), so use google and manual for details =)
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