diff --git a/Doc/INPUT_DOS b/Doc/INPUT_DOS index b61b41fdb..cd3f3cdc0 100644 --- a/Doc/INPUT_DOS +++ b/Doc/INPUT_DOS @@ -2,7 +2,7 @@ ! Purpose: calculates the Density of States (DOS) ! (separated into up and down components for lSDA) ! - ! Input (namelist &inputpp ... &end): Default value + ! Input (namelist &inputpp ... /) : Default value ! ! prefix prefix of input file produced by pw.x 'pwscf' ! (wavefunctions are not needed) @@ -18,4 +18,4 @@ ! fildos output file containing DOS(E) "prefix".dos ! ! See the header of file PP/dos.90 for more info - ! \ No newline at end of file + ! diff --git a/Doc/INPUT_PROJWFC.def b/Doc/INPUT_PROJWFC.def index 75ffb42ad..811717a34 100644 --- a/Doc/INPUT_PROJWFC.def +++ b/Doc/INPUT_PROJWFC.def @@ -11,12 +11,12 @@ input_description -distribution {Quantum Espresso} -package PWscf -program projw Structure of the input data: =============================================================================== - &INPUT + &INPUTPP ... / } - namelist INPUT { + namelist INPUTPP { var prefix -type CHARACTER { info { diff --git a/Doc/INPUT_PW b/Doc/INPUT_PW index 207d32c72..eaef82e08 100644 --- a/Doc/INPUT_PW +++ b/Doc/INPUT_PW @@ -296,6 +296,10 @@ nosym LOGICAL ( default = .FALSE. ) of the lattice. Use with care in low-symmetry large cells if you cannot afford a k-point grid with the correct symmetry. +noinv LOGICAL ( default = .FALSE. ) + if (.TRUE.) the time reversal symmetry q => -q is not used + in the generation of the k-point grid. + occupations CHARACTER 'smearing': gaussian smearing for metals requires a value for degauss @@ -1350,7 +1354,7 @@ COLLECTIVE_VARS monoclinic (p) ============================= - a1 = (a,0,0), a2= (b*sin(gamma), b*cos(gamma), 0), a3 = (0, 0, c) + a1 = (a,0,0), a2= (b*cos(gamma), b*sin(gamma), 0), a3 = (0, 0, c) where gamma is the angle between axis a and b base centered monoclinic diff --git a/PP/dos.f90 b/PP/dos.f90 index ef0cba9ea..06fb22d53 100644 --- a/PP/dos.f90 +++ b/PP/dos.f90 @@ -14,7 +14,7 @@ PROGRAM dos ! Calculates the Density of States (DOS), ! separated into up and down components for LSDA ! - ! Input (namelist &inputpp ... &end): Default value + ! Input (namelist &inputpp ... / ): Default value ! ! prefix prefix of input file produced by pw.x 'pwscf' ! (wavefunctions are not needed) diff --git a/PP/projwfc.f90 b/PP/projwfc.f90 index eba7af485..2ad836f1d 100644 --- a/PP/projwfc.f90 +++ b/PP/projwfc.f90 @@ -13,7 +13,7 @@ PROGRAM projwfc ! calculates Lowdin charges, spilling parameter, projected DOS ! ! - ! Input (namelist &inputpp ... &end): Default value + ! Input (namelist &inputpp ... / ): Default value ! ! prefix prefix of input file produced by pw.x 'pwscf' ! (wavefunctions are needed)