On Monday 07 November 2005 11:00, Miguel Martinez wrote: > a) What do the last two numbers of the first line mean?
10 = number of different gaussian broadenings used 3 = 3 * number of atoms > b) What are the omega^2 units? a.u. (Ry) if not otherwise stated > c) Is there any line I could omit? the line 'phase space' in the output must be omitted, the rest of the output should be included. If you want to be sure, look into PH/elphon.f90 and compare what is written to unit 6 and what is written to unit iuelph Paolo -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
