Basic workflow

Reference link

1. Preparation

   • turbogeniustutorial_subcommand_makefort10

2. Conversion

   • turbogeniustutorial_subcommand_convertfort10mol

3. DFT

   • turbogeniustutorial_subcommand_prep

4. VMC optimization

   • turbogeniustutorial_subcommand_vmcopt

5. VMC calculation

   • turbogeniustutorial_subcommand_vmc

6. LRDMC calculation

   • turbogeniustutorial_subcommand_lrdmc

1. convert JDFT wavefunction to JsAGPs one

   • turbogeniustutorial_subcommand_convertwf

2. Correlated sampling

   • turbogeniustutorial_subcommand_correlated-sampling