fellows, I have started to use Siesta recently. Sorry, if my questions sound naive.
1. By computing a molecule I removed from the input file the variables related to the perdic box, however, at the end "Cell volume" is printed. What it is? If there is a deafult box size it may be too small. Should I better specify it explicitely or Siesta can handle molecules same way as molecular QM codes, like Gaussian and Gamess? 2. Is any library of tested pseudopotential available from anyone? Thank you in advance, Anatoli Korkin __________________________________ Do you Yahoo!? Yahoo! Personals - Better first dates. More second dates. http://personals.yahoo.com
