Compatibility between IBRION=6 and LEPSILON
Posted: Thu Sep 01, 2016 7:50 pm
Hi,
my understanding from the documentation is that IBRION=6 should be compatible with LEPSILON=.TRUE.; I'd like to use these features together as a simple way to compute the elasto-optic tensor by finite differences. However, when I combine them, the code runs and the elastic tensor is computed correctly but there is no LEPSILON-related output. I'm a bit new to VASP so not too sure at this point how to proceed. Any suggestions would be very welcome.
thanks,
Joe Zwanziger
my understanding from the documentation is that IBRION=6 should be compatible with LEPSILON=.TRUE.; I'd like to use these features together as a simple way to compute the elasto-optic tensor by finite differences. However, when I combine them, the code runs and the elastic tensor is computed correctly but there is no LEPSILON-related output. I'm a bit new to VASP so not too sure at this point how to proceed. Any suggestions would be very welcome.
thanks,
Joe Zwanziger