Skip to content

Commit 523e049

Browse files
committed
Change param of test 115_PW_get_wf_kpar
1 parent 3cf809c commit 523e049

File tree

2 files changed

+9
-9
lines changed

2 files changed

+9
-9
lines changed

tests/01_PW/115_PW_get_wf_kpar/INPUT

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -8,15 +8,15 @@ symmetry 1
88
pseudo_dir ../../PP_ORB
99

1010
#Parameters (2.Iteration)
11-
ecutwfc 70
12-
scf_thr 1e-8
11+
ecutwfc 100
12+
scf_thr 1e-9
1313
scf_nmax 100
1414

1515
#Parameters (3.Basis)
1616
basis_type pw
1717

1818
out_wfc_norm 1 3*0
1919

20-
kpar 2
20+
kpar 3
2121

2222
pw_seed 1
Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1,9 +1,9 @@
1-
etotref -211.8788435141108
2-
etotperatomref -105.9394217571
3-
wf1s1k1.cube 21.94735831
4-
wf1s1k2.cube 19.65783768
5-
wf1s1k3.cube 20.12130334
1+
etotref -211.8789253813293
2+
etotperatomref -105.9394626907
3+
wf1s1k1.cube 21.94720511
4+
wf1s1k2.cube 19.65846447
5+
wf1s1k3.cube 19.34110139
66
pointgroupref T_d
77
spacegroupref O_h
88
nksibzref 3
9-
totaltimeref 2.84
9+
totaltimeref 1.95

0 commit comments

Comments
 (0)