mcgs带延时正反转组态教程（MDMC方法计算磁性基态）

mcgs带延时正反转组态教程（MDMC方法计算磁性基态）Prints out 'summary.dat' for results when magnetic ground state is reached.Submit 'control.sh' to the cluster; 'job.sh' is for the DFT/AIMD stepsMethod introduced by Olga Vekilova: Efficient determination of the true magnetic structure in a ... https://arxiv.org/abs/2104.02106Currently VERY elementary. Needs to have POSCAR POTCAR KPOINTS (if not using KSPACING) job.sh and control.sh.Change para

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Monte Carlo Code for Estimation of Curie Temperature

Implementation of the MDMC method to search for magnetic ground state using VASP

Method introduced by Olga Vekilova: Efficient determination of the true magnetic structure in a ... https://arxiv.org/abs/2104.02106

• Currently VERY elementary. Needs to have POSCAR POTCAR KPOINTS (if not using KSPACING) job.sh and control.sh.

• Change parameters for INCAR file in the write_incar method.

• Submit 'control.sh' to the cluster; 'job.sh' is for the DFT/AIMD steps

• Prints out 'summary.dat' for results when magnetic ground state is reached.

• Can continue job if time limit expires: save the old summary.dat and skip the fm_spin step in the next run.

https://github.com/utkarsh-LiU/MDMC-vasp

https://arxiv.org/abs/2104.02106