Ciao Feffe, Siesta can print Mulliken charges - I guess it's the closest to what you need. Just add *WriteMullikenPop 1* to your input, and it will print the Mulliken charges at the end of every CG step.
Cheers, Marcos On Wed, Mar 28, 2012 at 1:54 PM, Federico Iori <[email protected]>wrote: > Hi all. > > Maybe a naive question: does Siesta print in output the occupation of > electronic state, thus the number of electrons per electronic state > computed? > I tried to find it out...no way. How can I force Siesta to do it? > > Thanks a lot...I am definitely in trouble! > Federico Iori. > > -- > Dr. Federico Iori, PhD! > > Dipartimento di Scienze e Metodi per l' Ingegneria (DISMI) > Universita' di Modena e Reggio Emilia > Via Amendola,2 > Pad. Morselli > 42122 Reggio Emilia (Italy) >
