diff --git a/parser/parser-castep/CastepParser.py b/parser/parser-castep/CastepParser.py index 4703ee95828d32e92d2f75f58c93a0f7b460822a..16ec810b6e15d5cff7b82e6818ddd3e8c57972d9 100644 --- a/parser/parser-castep/CastepParser.py +++ b/parser/parser-castep/CastepParser.py @@ -198,7 +198,6 @@ class CastepParserContext(object): " Hartree-Fock + Local Density Approximation":"HF_X_LDA_C_PW", " hybrid HSE03" :"HYB_GGA_XC_HSE03", " hybrid HSE06" :"HYB_GGA_XC_HSE06", - " hybrid PBE0" :"GGA_C_PBE_GGA_X_PBE", " hybrid PBE0" :"HYB_GGA_XC_PBEH", " PBE with Wu-Cohen exchange" :"GGA_C_PBE_GGA_X_WC", " LDA-X" : "LDA_X_PZ",