Re: [SIESTA-L] Vibra problem

2006-07-19 Thread Andrei Postnikov
On Tue, 18 Jul 2006, bipul rakshit wrote: | hello siesta user, | | i am facing a problem in using Vibra for PtN calculations. | i got frequencies at gamma point 0.0032 0.0488 0.0540 526.0463 526.0609 526.0764 | | it is correct? Three acoustic frequencies are close enough

[SIESTA-L] Vibra problem

2006-07-19 Thread bipul rakshit
hello siesta user, i am facing a problem in using Vibra for PtN calculations. i got frequencies at gamma point 0.0032 0.0488 0.0540 526.0463 526.0609 526.0764 it is correct? but when i construct a supercell = 1 in all the three direction. and when i run the siesta