From 09375fb58d417360aa6ad8a38a79aeac41eb8be4 Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 10 Jul 2023 18:33:49 -0700 Subject: [PATCH] grid definition up to element with z=120 --- src/nwdft/grid/grid_acc_def.F | 33 ++++++++++++++++++++++++++++++++- 1 file changed, 32 insertions(+), 1 deletion(-) diff --git a/src/nwdft/grid/grid_acc_def.F b/src/nwdft/grid/grid_acc_def.F index 6dfd193d91..0fe4561661 100644 --- a/src/nwdft/grid/grid_acc_def.F +++ b/src/nwdft/grid/grid_acc_def.F @@ -51,7 +51,7 @@ c fine = 1d-7 c xfine = 1d-8 c huge = 1d-10 c - integer grid_params(6,2,2,105) + integer grid_params(6,2,2,120) integer i,j,k,l,iptr integer xc_leb_acc2nrd external xc_leb_acc2nrd @@ -275,6 +275,37 @@ c . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! Unq(104) & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18/! Unp(105) + data ((((grid_params(i,j,k,l),i=1,6),j=1,2),k=1,2),l=106,120)/ + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 106 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 107 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 108 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 109 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 110 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 111 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 112 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 113 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 114 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 115 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 116 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 117 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 118 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18,! 119 + & 105,130,155,205,235,400,16, 20, 32, 44, 48, 48, + . 84,104,123,141,205,400, 8, 11, 14, 17, 18, 18/! 120 c c Set print options. c