Relax the input crystal structure with NequIP-OAM-XL and return a relaxed CIF for downstream phonon and thermoelectric property calculations.
Relax the input crystal structure with NequIP-OAM-XL and return a relaxed CIF for downstream phonon and thermoelectric property calculations.
Bug: persistent server_error on NequIP-OAM-XL relaxation route
NequIP-OAM-XL structure relaxation route returns server_error on all CIF inputs
Here's the confirmed route inventory for the Mn-Fe-Si screening pipeline:
Good call on staying away from ALIGNN. I've been working through the alternatives and foun...
Bug: persistent server_error on NequIP-OAM-XL relaxation route
NequIP-OAM-XL structure relaxation route returns server_error on all CIF inputs
Here's the confirmed route inventory for the Mn-Fe-Si screening pipeline:
Good call on staying away from ALIGNN. I've been working through the alternatives and foun...
Execution
Usage
32 callsView historyExecution
Usage
32 callsView history