diff --git a/PP/Doc/INPUT_pw2bgw.def b/PP/Doc/INPUT_pw2bgw.def index 95abc2ad6..2e78078e9 100644 --- a/PP/Doc/INPUT_pw2bgw.def +++ b/PP/Doc/INPUT_pw2bgw.def @@ -63,7 +63,10 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw2bg 'cubic' | 'hexagonal' type of crystal system, 'cubic' for space groups 1 ... 142 and 195 ... 230 and 'hexagonal' for space groups 143 ... 194. Only used if ibrav = 0 in a - pw.x run + pw.x run. Written to BerkeleyGW WFN, RHO, VXC and VNL files but no longer + used (except in SAPO code in BerkeleyGW). You can use the default value for + all systems. Don't set to different values in different files for the same + system or you will get errors in BerkeleyGW. } }