Re: [SIESTA-L] Compilation on WIndows

2008-10-17 Thread Kyriakos Kachrimanis
Hello. I have recently compiled siesta on windows, using the cygwin platform. There was absolutely no problem in the compilation of siesta and all other utilities except for Plrho, which I failed to compile. If your problem persists, I could send you the siesta executables. In order to run

[SIESTA-L] calculation of crystal orbital overlap population?

2009-06-24 Thread Kyriakos Kachrimanis
Dear list members, can anyone suggest a simple way for the calculation of the crystal orbital overlap population and construction of COOP plots? I suppose the starting point should be to set the WriteMullikenPop parameter to 3. Thank you in advance. Regards, Kyriakos.