diff --git a/README.md b/README.md index 818dc740..65866cf0 100644 --- a/README.md +++ b/README.md @@ -13,7 +13,7 @@ Matlab-Simulation Package for Ab-initio Real-space Calculations (M-SPARC) is a r The required input files to run a simulation with M-SPARC are (with shared names) (a) ".inpt" -- User options and parameters. (b) ".ion" -- Atomic information. -A more detailed description of the input options can be found in the user manual loated in M-SPARC/docs. Examples of input files can be found in the directory M-SPARC/tests. +A more detailed description of the input options can be found in the user manual loated in M-SPARC/doc. Examples of input files can be found in the directory M-SPARC/tests. In addition, M-SPARC requires pseudopotential files of psp8 format which can be generated by D. R. Hamann's open-source pseudopotential code [ONCVPSP](http://www.mat-simresearch.com/). A large number of accurate and efficient pseudopotentials are already provided within the package. For access to more pseudopotentials, the user is referred to the [SG15 ONCV potentials](http://www.quantum-simulation.org/potentials/sg15_oncv/). Using the [ONCVPSP](http://www.mat-simresearch.com/) input files included in the [SG15 ONCV potentials](http://www.quantum-simulation.org/potentials/sg15_oncv/), one can easily convert the [SG15 ONCV potentials](http://www.quantum-simulation.org/potentials/sg15_oncv/) from upf format to psp8 format. Paths to the pseudopotential files are specified in the ``.ion" file.