Re: [Pw_forum] Version differences (4.2.1 to 5.1.2)

2015-05-27 Thread Paolo Giannozzi
On Wed, May 27, 2015 at 11:08 PM, Eric Glen Suter wrote: I've been trying to compare them with some of the work of my predecessor > who ran these same kinds of calculations (on QE version 4.2.1). However, > using the same input file and pseudo potentials I find differences in

[Pw_forum] Version differences (4.2.1 to 5.1.2)

2015-05-27 Thread Eric Glen Suter
Hello all, I'm a beginning user of Quantum Espresso (version 5.1.2) and I'm currently studying cubic KNbO3. To that end, I've been running self-consistent plane-wave calculations and I've been trying to compare them with some of the work of my predecessor who ran these same kinds of