Dear Madan Mithra:
There is no mistake, siesta-3.0 does not include the
VdW functional while the current trunk version does.
The development or trunk versions (you may think of them
as the alfa versions of siesta-4.0) are all of them evolutions
beyond 3.0, and they add new features from time to
Dear Bartek,
Finally I was able to build parallel Siesta 3RC1. At the time of
configure, we have to add the following flag to the FCFLAGS for the
configure to work :
-qsuffix=cpp=f90
I followed this method. First I went to the FoX directory and
configured it. Then I edited the 'arch.make' (in t
Dear All,
I have compiled the latest release candidate of siesta 3.0 (RC1).
However, when I request 'XC.functional VDW' and 'XC.authors DRSLL', it
gives the following error.
---
xc_check: Exchange-correlation functional:
xc_check: ERROR: Exchange-correlation functional not allowed
xc_check: E
