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README.md

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CCPG - Cross Code Pseudopotential Generator

CCPG is a modification to the QuantumEspresso pseudopotential generator to allow it to also produce pseudopotentials in the Siesta format.

Building and compiling info

Ok so compile without gfortran, or open mpi. compile and run with gsl

must set FC to

export FC=ifort

build with: cd siesta;make;cd ../;make thing to compile though

NB! pay attention to the pseudotype number