ABINIT Discussion Forums

When learing Abinit through the tutorial of "PAW3", I find a paragraph includes the following words, "If you need to perform calculations which involve the Fock operator or unoccupied states - like in GW calculations for instance - you will probably need at least three projectors. You...

Hi everyone, I do not know if someone else have posted a same topic. If so, tell me and I will delete this one. Recently, when I use AbinitBandStructureMaker.py (Version 1.3, coded 2010), phthon goes wrong with the message "line 841 *** ValueError: could not convert string to float: =". Th...

Dear admin, Thanks for your reply. I tried both syntaxs, but they did not work. Finally, I use the following parameter in configure --with-dft-flavor=wannier90 Abinit automatically downloaded and installed wannier-2.0.1.1. Everything seems OK now. Rulin Liu Hi perhaps a problem of syntax... try ./co...

Hi everyone, I try to go through the tutorial of wannier, so I compiled wannier90-2.0.1 and then recomplied abinit. I used configure command as follows: ./configure \ --enable-wannier90 \ --with-wannier90-libs="-L/home/lrl/Desktop/wannier/wannier90-2.0.1/libwannier.a" \ --enable-mpi=yes --...