ABINIT Discussion Forums

Dear Matthieu,

Thank you, it solved the problem.

Best,

Thomas

Dear Yann Pouillon, Please find enclosed herewith the config.log file. Apparently, wannier90 was not built although I included the flag withwannier90 in the confiiguration command line : ./configure --prefix=/home/chanier/private-SNAFU --enable-mpi="yes" --enable-mpi-io="yes" --w...

Dear Yann Pouillon, I tried with the following configuration script, with and without the 1.1 wannier90 tarball, and it still fails when I run the tutorial file on wannier90. I Configuration script: ./configure --prefix=/home/chanier/kirikou2 --enable-mpi="yes" --enable-mpi-io="yes&qu...

Hello, I copied the wannbier90-1.1.tar in the .abinit/tarball/ directory and installed wannier90-1.1. The configuration command line I used is : $./configure --prefix=/home/chanier/ABINIT2/bin --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-SNAFU"...

Dear colleagues, I am experiencing problem to install the abinit 6 with wannier90 plugin. Here is my configuration command: $ ./configure --prefix=/home/chanier/ABINIT2/bin --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-SNAFU" --enable-64bit-fla...

Dear colleagues,

I want to generate a KSS file for a spin polarized calculation for post-processing treatment. How can I edit a file.kss which is a binary file? What is the structure of this file?

Best,

Thomas Chanier

Dear All, I am trying to compile ABINIT-6.0.1 with the netcdf library. First, is the library included in the abinit package or is it necessary to have the netcdf library prefix to the netcdf library? Second, I tried to compile giving the netcdf library path : ./configure --prefix=/home/chanier/insta...

Dear All, After upgrading my system from leopard (Mac 10.5) to snow leopard (Mac 10.6), there is now a problem with the abinit 5.8.4 installation. Abinit-5.8.4 worked well on Leopard, a 32 bit architecture. Snow leopard works in 64 bit architecture, so I just add the enable 64bit flag to the previou...

Dear Yann Pouillon, I advance further in the configuration process. The reason was that Snow Leopard is a 64 bits architecture. I did : ./configure --prefix=installdir FC="gfortran -m64" In installdir/bin, Ihave : abinip, abinis and abinip. Is the parallel version already installed or do I...

Dear colleagues, I am experiencing problem in the make process of ABINIT 6. For the configuration process, I put: ./configure --prefix=/home/chanier/ABINIT/ABINIT-6 --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-leopard" --enable-netcdf=yes \ --...

Dear colleagues,

I want to study thee xcited states and optical properties of N-V center in diamond which carries a spin S=1 in the ground state. I would like to know if a spin-polarized calculation possible with the YAMBO code?

Thank you for your help,

Best regards,

Thomas Chanier