[SIESTA-L] spin-orbit interaction

hello sir, one thing i want to ask that, can we use spin orbit interaction in siesta, if yes then how. I ask that, bcoz after running siesta command, in *.out file it is written that, there are spin-orbit pseudopotentials are available the spin-orbit interaction is not included in calculati

Re: [SIESTA-L] spin orbit interaction

Hello Bipul. I am afraid the answer is pretty simple :-( It is not possible: this feature has not been implemented in any officially distrbuted version of Siesta. Riccardo En/na bipul rakshit ha escrit: hello siesta users, Please tell me that how to calculate the spin-orbit interaction. i.e

[SIESTA-L] spin orbit interaction

hello siesta users, Please tell me that how to calculate the spin-orbit interaction. i.e. what option in *.fdf file is used to calculate the spin-orbit interaction. with regards - Find out what India is talking about on

Re: [SIESTA-L] problem with parallel ompilation using siesta 2.0and mpitch

Hi , I think you should compile mpich, scalapack/blacs and blacs/lapack from scratch to solve this problem, which is an incompatibility of compilation between the three just think to use the same compiler for every one. You can follow the howto send with this email, just change the options dep

[SIESTA-L] Pseudo and Basis for co-related systems

hello siesta users, can any body give the Pseudo and basis for the following elements Sm S Tm Se thanks - Find out what India is talking about on - Yahoo! Answers India Send FREE SMS to your friend's mobile fr

[SIESTA-L] strain energy

hello siesta users, can any body tell me how to find the strain energy of the crystal. Actually I want to find out the elastic constant. The only thing i have to do is to strain the crystal to + - 2% and find out the energy with constant volume. Can any body tell me how to strain the crystal