|
About the New to AiiDA category
|
|
0
|
64
|
June 30, 2023
|
|
Welcome to AiiDA! :wave:
|
|
0
|
226
|
June 28, 2023
|
|
New to AiiDA. Question about loading specific pseudo families
|
|
2
|
14
|
July 23, 2024
|
|
Configuration of RabbitMQ with the new AiiDA version
|
|
1
|
25
|
July 16, 2024
|
|
AiiDA is not running vasp calculations in the database folder
|
|
2
|
47
|
June 18, 2024
|
|
Limit Number of Jobs in Queue on Remote Computer
|
|
2
|
33
|
June 7, 2024
|
|
Regarding running verdi run script.py command with qsub in HPC Cluster
|
|
5
|
48
|
May 27, 2024
|
|
Plotting results from aiida-vibroscopy
|
|
23
|
196
|
May 7, 2024
|
|
Warning: Inconsistencies detected between database and RabbitMQ
|
|
3
|
70
|
April 19, 2024
|
|
Failed with error but no error in reality
|
|
3
|
51
|
April 19, 2024
|
|
Move repository on external disk / Best AiiDa setup?
|
|
2
|
75
|
April 10, 2024
|
|
Convergence strategy in DielectricWorkChain
|
|
16
|
90
|
April 8, 2024
|
|
Aiida_vibroscopy: PW calculation got interrupted in DielectricWorkChain
|
|
8
|
73
|
April 4, 2024
|
|
Aiida-vibroscopy: Is it possible to access vibration modes?
|
|
9
|
89
|
March 31, 2024
|
|
Adding phonoy as a code
|
|
1
|
65
|
March 29, 2024
|
|
Aiida-quantumespresso: no LDOS / k-resolved DOS in projwfc calculation plugin
|
|
3
|
54
|
March 27, 2024
|
|
PwCalculation<2812> failed with exit status 305: Both the stdout and XML output files could not be read or parsed
|
|
2
|
78
|
March 27, 2024
|
|
Aiida-vibroscopy: Raman in magnetic semiconductors
|
|
15
|
99
|
March 22, 2024
|
|
How to distinguish between surface and bulk calculations?
|
|
4
|
65
|
March 20, 2024
|
|
Aiida-vibroscopy: workflow for IR Reflectance
|
|
3
|
85
|
March 20, 2024
|
|
AiiDA Provenance Browser
|
|
2
|
138
|
March 13, 2024
|
|
Process status is created only
|
|
0
|
76
|
March 11, 2024
|
|
Find calculations with alloys by elements
|
|
1
|
84
|
March 8, 2024
|
|
Aiida-vibroscopy: failed with exit status 305: Both the stdout and XML output files could not be read or parsed
|
|
10
|
123
|
March 8, 2024
|
|
Immigration of existing (VASP) calculations
|
|
2
|
125
|
March 8, 2024
|
|
Problem in running in HPC: after relogin everything failed
|
|
7
|
130
|
March 5, 2024
|
|
KeyError: "duplicate label in namespace" when running workchain
|
|
12
|
84
|
March 4, 2024
|
|
How to stop the running workflow?
|
|
2
|
58
|
March 1, 2024
|
|
Error while trying to connect to the computer
|
|
2
|
72
|
February 28, 2024
|
|
ERROR: invalid locale name: "en_US.UTF-8"
|
|
5
|
141
|
February 28, 2024
|