[SIESTA-L] phonon calculation

2009-06-17 Thread shihitwh
Dear all, I want to run MD.typeofrun FC, and my system has 330 atoms. I must use solutionmethod diagon ? Can I use orderN to operate FC ? Best Wishes! Shi

Re: [SIESTA-L] phonon calculation

2009-06-17 Thread Christopher Rowan
Shi, Yes, I believe you can safely use FC with SolutionMethod = Diag. I haven't tried it, but I haven't come across anything in the manual that says otherwise. Try it! Chris Rowan 2009/6/17 shihitwh shihi...@163.com: Dear all, I want to run MD.typeofrun FC, and my system has 330 atoms. I must