ABINIT Discussion Forums

I would like to print out the plane wave components of a wave function at a particular k-point. I've tried several things so far, none of which do what I want. Here's what I've tried: cut3d doesn't do what I want, because it prints out the wave function components on a grid in real space. I've read ...

Got things working. Even after I specified the --with-linalg-libs stuff, I think it was still linking in the wrong libraries. I renamed my static blas/lapack libs to something with my initials at the end, recompiled, and it seems that everything is working. Thanks for your help!

Alain, thanks very much for your reply. Here's what otool -L generated: $ otool -L /usr/local/bin/abinit /usr/local/bin/abinit: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib (compatibility version 1.0.0, current version 1.0.0) /Syst...

I'm getting errors during 'make check' and running a simple Si test case (tutorial 3.1) after building abinit v7.4.3 on MacOS using gcc/gfortran 4.6.4. I've recompiled using -O0 and the problem still persists. I've looked through other posts in the forum, and most problems like this go away when you...

Appears to work with abinit version 6.0.4.

Just downloaded a new version of abinit-6.2.3. Compiling on a RHE 5.0 Linux system using gfortran 4.1.2 and gcc 4.1.2. I'm getting the following error during compilation: gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -ffree-form -J/home/rmuller/Programs/abinit-6.2.3/src/mods...