The first (quite stupid) idea that comes to mind is to check which atom specie names you are using. If your system has atom species named something like "Z_whatever", then the program will not be satisfied by a pseudo file named "Z.psf", you must also have a file named "Z_whatever.psf".
At any rate, since the program works in some cases and doesn't in other, I'd suggest that this is an error in the input file. Check your input, it should be there. 2006/12/3, Thomas Sadowski <[EMAIL PROTECTED]>:
Hello all, I am trying to run the parallel version of siesta2.0. Sometimes I get an error that tells me it cannot find the pseudopotential even though it is clearly in the folder. Other times this does not occur. Has anyone experienced this before?? Does anyone know how to work around this??? Thanks in advance, Tom Sadowski University of Connecticut ------------------------------ Use Messenger to talk to your IM friends, even those on Yahoo! Talk now!<http://ideas.live.com/programpage.aspx?versionId=7adb59de-a857-45ba-81cc-685ee3e858fe>
