"Error in routine gipaw_readin (1): reading inputgipaw namelist" means
that the file with the ... / namelist is nonexistent, empty,
corrupted, or that the namelist has a problem. Typically, there is a syntax
error or something that disturbs its reading anyway:
Dear QE Users,
I heard that to improve the bandgap of silicon Hubbabrd parameter has to be
used. What is it actually? How can I include it in the code?
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list
Dear QE-GIPAW users and developers,
I am trying to calculate hyperfine coupling constants for various solids
containing Cu. For 4 different solids SCF and GIPAW calculations finished
successfully. For 1 solid, after successful SCF calculation, GIPAW immediately
ended with the following
Dear Sir,
I was wondering if there is a way to figure out/recognize the band
inversions in topological semiconductors under spin-orbit effect using
ab-initio mechanism?
Regards,
**
Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
Assistant Professor,
Several other pseudopotential tables are listed in the column at the left
of this page:
http://www.quantum-espresso.org/pseudopotentials
More information can be found in the topmost link on the left (
http://www.quantum-espresso.org/pseudopotentials/about).
The directory upftools/ contains
(the files you sent are not in UPF format, by the way)
On Wed, Mar 25, 2020 at 8:26 AM Paolo Giannozzi
wrote:
> Several other pseudopotential tables are listed in the column at the left
> of this page:
>http://www.quantum-espresso.org/pseudopotentials
> More information can be found in the