Tour
About Us
Meta
Loading…
current community
Stack Exchange
chat
Meta Stack Exchange
your communities
Sign up
or
log in
to customize your list.
more stack exchange communities
company blog
Log in
Stack Exchange
All Sites
Top Users
Digests
Ujjawal Modanwal
top
accounts
reputation
activity
subscriptions
Top Questions
21
votes
Is it possible to calculate the Curie temperature for magnetic systems?
density-functional-theory
quantum-espresso
magnetism
curie-temperature
anti-ferromagnetic
asked Dec 7, 2020 at 9:31
mattermodeling.stackexchange.com
14
votes
How to do spin polarization calculations using Quantum ESPRESSO?
density-functional-theory
computational-chemistry
quantum-espresso
open-source
magnetism
asked Sep 22, 2020 at 17:37
mattermodeling.stackexchange.com
13
votes
Si energy band values are not matching with literature values
density-functional-theory
band-structure
quantum-espresso
crystal-structure
brillouin-zone
asked Sep 26, 2020 at 14:50
mattermodeling.stackexchange.com
13
votes
How to know optimal K-points grid values for good DFT calculation?
density-functional-theory
band-structure
quantum-espresso
open-source
k-points
asked Sep 22, 2020 at 11:27
mattermodeling.stackexchange.com
13
votes
Getting different total magnetic moment in 'scf' and 'vc-relax' calculations in Quantum ESPRESSO
density-functional-theory
quantum-espresso
magnetism
self-consistent-field
cell-optimization
asked Dec 23, 2020 at 13:51
mattermodeling.stackexchange.com
12
votes
How to choose pseudopotential for DFT calculations in Quantum ESPRESSO?
density-functional-theory
computational-chemistry
condensed-matter
quantum-espresso
self-consistent-field
asked Sep 21, 2020 at 18:30
mattermodeling.stackexchange.com
12
votes
Is there an energy gap correction factor that needs to be used in DFT calculations?
density-functional-theory
electronic-structure
band-structure
quantum-espresso
brillouin-zone
asked Sep 27, 2020 at 9:35
mattermodeling.stackexchange.com
11
votes
Plotting density of states of Fe(BCC) using Quantum ESPRESSO
density-functional-theory
electronic-structure
quantum-espresso
band-structure
dos
asked Oct 23, 2020 at 20:59
mattermodeling.stackexchange.com
11
votes
How to edit a PDF file in LibreOffice Draw or LibreOffice Writer without corrupting it?
libreoffice
snap
pdf
gimp
editing
asked Jul 12, 2021 at 8:00
askubuntu.com
11
votes
Does the spin polarised DFT calculation mean broken time reversal symmetry?
density-functional-theory
band-structure
symmetry
spin-polarization
topological-matter
asked Jul 19, 2021 at 4:55
mattermodeling.stackexchange.com
1
2
3
next
Top Answers
9
Error in nscf calculation while considering Spin Orbit Coupling in Quantum ESPRESSO
mattermodeling.stackexchange.com
6
Can I run an nscf calculation in Quantum ESPRESSO with disk_io='none'?
mattermodeling.stackexchange.com
Stack Exchange works best with JavaScript enabled