Commit a0b00394 authored by Henning Janssen's avatar Henning Janssen

Adjust first Hubbard1 test (without SOC)

parent f621a67a
This diff is collapsed.
24 24 F ! nop,nop2,symor
! 1
1 0 0 0.00000
0 1 0 0.00000
0 0 1 0.00000
! 2
-1 0 0 0.00000
1 1 0 0.00000
0 0 1 0.50000
! 3
1 0 0 0.00000
-1 -1 0 0.00000
0 0 1 0.00000
! 4
-1 0 0 0.00000
0 -1 0 0.00000
0 0 1 0.50000
! 5
1 1 0 0.00000
0 -1 0 0.00000
0 0 1 0.50000
! 6
0 1 0 0.00000
-1 -1 0 0.00000
0 0 1 0.00000
! 7
0 -1 0 0.00000
-1 0 0 0.00000
0 0 1 0.50000
! 8
-1 -1 0 0.00000
1 0 0 0.00000
0 0 1 0.00000
! 9
1 1 0 0.00000
-1 0 0 0.00000
0 0 1 0.50000
! 10
0 1 0 0.00000
1 0 0 0.00000
0 0 1 0.00000
! 11
-1 -1 0 0.00000
0 1 0 0.00000
0 0 1 0.00000
! 12
0 -1 0 0.00000
1 1 0 0.00000
0 0 1 0.50000
! 13
1 0 0 0.00000
0 1 0 0.00000
0 0 -1 0.50000
! 14
-1 0 0 0.00000
1 1 0 0.00000
0 0 -1 0.00000
! 15
1 0 0 0.00000
-1 -1 0 0.00000
0 0 -1 0.50000
! 16
-1 0 0 0.00000
0 -1 0 0.00000
0 0 -1 0.00000
! 17
1 1 0 0.00000
0 -1 0 0.00000
0 0 -1 0.00000
! 18
0 1 0 0.00000
-1 -1 0 0.00000
0 0 -1 0.50000
! 19
0 -1 0 0.00000
-1 0 0 0.00000
0 0 -1 0.00000
! 20
-1 -1 0 0.00000
1 0 0 0.00000
0 0 -1 0.50000
! 21
1 1 0 0.00000
-1 0 0 0.00000
0 0 -1 0.00000
! 22
0 1 0 0.00000
1 0 0 0.00000
0 0 -1 0.50000
! 23
-1 -1 0 0.00000
0 1 0 0.00000
0 0 -1 0.50000
! 24
0 -1 0 0.00000
1 1 0 0.00000
0 0 -1 0.00000
......@@ -14,7 +14,7 @@ $result+=jt::test_fileexists("$workdir/Hubbard1/hloc.cfg");
#test for one eigval file
$result+=jt::test_fileexists("$workdir/Hubbard1/eigval7part.dat");
#test density matrix
$result+=jt::test_grepnumber("$workdir/out","nmmp occupation distance:",": *([^ ]*)",7.00071244002505,0.00001);
$result+=jt::test_grepnumber("$workdir/out","nmmp element distance:",": *([^ ]*)",1.00011127013323,0.00001);
$result+=jt::test_grepnumber("$workdir/out","nmmp occupation distance:",": *([^ ]*)",7.00015383049998,0.00001);
$result+=jt::test_grepnumber("$workdir/out","nmmp element distance:",": *([^ ]*)",1.00023177097908,0.00001);
jt::stageresult($workdir,$result,"1");
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