Chunwei
Chunwei
When the calculation of VASP is performed under pressure conditions, the `PSTRESS` parameter needs to be added to `INCAR`, and the `enthalpy is TOTEN` item will be obtained in OUTCAR....
Dear Tadano, I have just come across alamode, and you mentioned, `Anharmonic force constants up to sixth-order were calculated by applying the compressive sensing approach to the training datasets generated...
## dflow-helloworld.ipynb > from https://github.com/zjgemi/dflow_helloworld/blob/master/dflow-helloworld.ipynb ~~~python #Define a Python OP from pathlib import Path from dflow.python import OP, Artifact from dflow import SlurmRemoteExecutor slurm_remote_executor = SlurmRemoteExecutor( host= "xxx.xx.xxx.xx", port= xxx,...