BEGIN_PROVIDER [ character*(32), DFT_TYPE] implicit none BEGIN_DOC ! defines the type of DFT applied: LDA, GGA etc ... END_DOC logical :: is_lda if(correlation_functional.eq."None")then is_lda = (index(exchange_functional,"LDA") .ne. 0) else if(exchange_functional.eq."None")then is_lda = (index(correlation_functional,"LDA") .ne. 0) else is_lda = (index(correlation_functional,"LDA") .ne. 0) .and. (index(exchange_functional,"LDA") .ne. 0) endif if(is_lda)then DFT_TYPE = "LDA" else DFT_TYPE = "GGA" endif END_PROVIDER