Dear all,
I have been requested by a reviewer to provide either the Bloch wave functions or the valence radial density. Just to be sure, do i obtain these terms from a pseudopotential generator or is there a way to obtain these terms from abinit. Thanks.
Search found 4 matches
- Wed Oct 19, 2016 4:20 am
- Forum: Ground state
- Topic: Bloch wave functions/valence radial density
- Replies: 1
- Views: 2322
- Tue Jul 12, 2016 9:37 am
- Forum: Configuring and compiling ABINIT
- Topic: Problem with number of nodes during mpirun
- Replies: 1
- Views: 3034
Problem with number of nodes during mpirun
Dear all, I have managed to successfully install OpenMPI-1.10.3 and Abinit-8.0.8 over my 5 node cluster. I then proceeded to run a job with this command mpirun -np 2 -machinefile cluster abinit < t4x.files In the file cluster I have the IP addresses given as such but with the last three commented ou...
- Tue May 24, 2016 11:40 am
- Forum: Ground state
- Topic: Question on source file.
- Replies: 1
- Views: 2465
Question on source file.
Dear All, This is a rather general question but I would like to know if there is an input variable that would print out the source files used for a calculation say for this input file or any arbitrary input file? toldfe 1.0d-12 nband 30 # number of self-consistent field steps nstep 2000 #diemac 4.0 ...
- Mon Apr 18, 2011 9:05 am
- Forum: Configuring and compiling ABINIT
- Topic: problem during make
- Replies: 1
- Views: 2310
problem during make
Hello, I've managed to configure abinit and there aren't any errors as far as I can tell. However when I want to make this comes out : make all-recursive make[1]: Entering directory `/home/sidiq/abinit-6.6.2' Making all in plugins make[2]: Entering directory `/home/sidiq/abinit-6.6.2/plugins' Making...