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There is a big issue related to work with never versions of Quantum Espresso.
As of version 6.4., QE does not support old file format any more (former -D_OLDXML option), so, right now, we are forced …
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**Describe the bug**
Vipster crashes when loading PW.x Output data. It crashes
both when loading from the cli with the --pwo option or directly when
loading from inside the GUI. The only message I…
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I'm reporting this issue on behalf of Gopal Iyer at Brown:
"Dear Dr. Krogel,
I am a graduate student in Prof. Brenda Rubenstein's group. For one of my projects involving Pt surface modeling, I w…
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$ spack install quantum-espresso %gcc@10.2.0 +openmp ^fftw@3:+openmp ^openblas threads=openmp
..
2767 /nvme/martinh/work/spack/opt/spack/linux-centos8-broadwell/gcc-10.2.0/openmpi-4.0.5-wb
…
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The binary installer for Linux linked on the main website fails when installing the pymatgen and wxpython packages. As a consequence, the binary files for larch and related programs are not created.
…
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**Describe the bug**
After running PWSCF and a Jastrow optimization for a 2 atom graphene system, DMC fails with the following error:
Fatal Error. Aborting at EinsplineSetBuilder::AnalyzeTwists2
…
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Hi FLARE team,
I cloned the repo yesterday to get my work on the most up-to-date version. Previously, I had been using whatever version was available on 11 May 2020.
In running a very simple OTF t…
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Dear Professor Togo,
I am using Phono3py to calculate thermal conductivity with pwscf interface.
in my case, there is 40 atoms in my material.in file. however, when I use command:
$ phono3py --…
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Hi,
I noted the wonderful [qeinputgenerator](https://www.materialscloud.org/work/tools/qeinputgenerator) tool belong to the materialscloud project. For this tool, when I set qetools as the parser for…
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## Current Behavior
Conda supplies their own linker, which does not correctly link the C-standard library under OpenSuse.
If I use the system's pip without anaconda everything works fine.
Rel…