Dear Sohail Ahmad,
Did you treat the LO-TO splitting? The material seems to have very large
splitting, in the article that you cite 335 cm-1, even if the band gap
is very small. If not, you can see for example the end of
http://people.sissa.it/~degironc/QE-Tutorial/tutorial_phon.htm
on how
Dear David [affiliation?], Paolo et alia,
Just an innocent question: How many compilers do _not_ have an internal
pre-processor these days or are not able to use an external one? I was
compiling .F90 files some 10-15 years ago with automatic pre-processing,
without the need of intermediate
Hello David,
we will take into account this issue but not for this release. For the next one
scheduled in September will try to address this problem with OSX
case-insensistive file-systems. We will do our own testing to make sure nothing
breaks.
Cheers
On Apr 24, 2016, at 7:32 PM, David
Hi Paolo,
My point about cpp is: Octopus (and some other codes) have been using this
approach for many years on a variety of platforms. So, I don't see any
reason it would cause trouble for any compilers. The issue for OSX I
mention is related to the filesystem and is independent of the compiler.
Dear Colleagues,
I would be grateful if you could spread the news and solicit nominations for
the newly established Walter Kohn Prize in quantum-mechanical materials and
molecular modeling. The Prize is for an under-45 scientist from a developing or
emerging country. Deadline: 31 May 2016.
