|
Getting wrong Bulk modulus for ZnO using Elastic and quantum espresso
|
|
2
|
968
|
February 3, 2022
|
|
Interpreting "l,m" values in PDOS
|
|
4
|
552
|
February 1, 2022
|
|
K-path symmetry
|
|
1
|
340
|
January 30, 2022
|
|
Plot atom type contribution on band structure
|
|
0
|
286
|
January 30, 2022
|
|
Error(seceqnfv): diagonalisation failed
|
|
10
|
1199
|
January 27, 2022
|
|
Error(connect): np < nv : 10 15
|
|
0
|
234
|
January 27, 2022
|
|
PLOT-maxforce.py Error
|
|
1
|
282
|
January 26, 2022
|
|
Why does exciting_smp only take up two CPUs at mosts
|
|
10
|
661
|
January 25, 2022
|
|
Fatal Error while trying to run a calculation
|
|
6
|
527
|
January 25, 2022
|
|
Error (wfhelp_occupy): Not implemented for this stype
|
|
5
|
497
|
January 23, 2022
|
|
Comparing TDOS and sum of PDOS
|
|
2
|
666
|
January 10, 2022
|
|
How to get PROJ_x.OUT file under specified high symmetry points in exciting?
|
|
3
|
452
|
November 30, 2021
|
|
How converge and use outputs from the ground state to calculate the Bethe Salpeter equation in exciting
|
|
4
|
552
|
November 26, 2021
|
|
How to Setup a Calculation Service
|
|
6
|
708
|
November 22, 2021
|
|
Optimization a hexagonal structure with respect to c/a ratio in exciting
|
|
9
|
468
|
November 22, 2021
|
|
Libxc version
|
|
1
|
253
|
November 13, 2021
|
|
Unable to repeat calculations published by the exciting team
|
|
9
|
674
|
November 11, 2021
|
|
Exciting DOS for gold does not match FHI-aims and VASP
|
|
14
|
1347
|
October 22, 2021
|
|
Zero-distance atoms when structure in Xcrysden is fine
|
|
2
|
452
|
October 11, 2021
|