[SIESTA-L] phonon calculation

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

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

[SIESTA-L] phonon calculation problem

hello siesta user, i am doing phonon calculation of platinum nitride in zinc blende phase but while running siesta it gives me the following error Cannot do O(N) with k-points. Stopping Program from Node: 11 i attach mu input and the output file with this maill please have