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update 01_PW tests
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2 files changed

+32
-34
lines changed

2 files changed

+32
-34
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tests/01_PW/027_PW_PINT_RKS/INPUT

+6-6
Original file line numberDiff line numberDiff line change
@@ -1,22 +1,22 @@
11
INPUT_PARAMETERS
22
#Parameters (General)
33
suffix autotest
4-
pseudo_dir ../../../tests/PP_ORB
5-
orbital_dir ../../../tests/PP_ORB
4+
pseudo_dir ../../../tests/PP_ORB
5+
orbital_dir ../../../tests/PP_ORB
66
pw_seed 1
77
nbands 16
88
#Parameters (Accuracy)
99
ecutwfc 50
10-
scf_nmax 20
10+
scf_nmax 20
1111

1212
basis_type pw
1313
gamma_only 1
1414

15-
init_wfc nao
15+
init_wfc nao
1616

1717
smearing_method gauss
1818
smearing_sigma 0.01
1919

2020
calculation relax
21-
relax_nmax 50
22-
force_thr_ev 1.0e-3
21+
relax_nmax 50
22+
force_thr_ev 1.0e-3

tests/01_PW/CASES_CPU.txt

+26-28
Original file line numberDiff line numberDiff line change
@@ -1,29 +1,27 @@
1-
001_PW_15_ONCV
2-
002_PW_15_f
3-
003_PW_15_LDA
4-
004_PW_15_LibxcLDA
5-
005_PW_15_lowz
6-
006_PW_BLPS
7-
007_PW_Coulomb
8-
008_PW_GTH
9-
009_PW_LPS6
10-
010_PW_LPS8
11-
011_PW_UPF100_Al
12-
012_PW_UPF100_RAPPE_Fe
13-
013_PW_UPF100_USPP_Fe
14-
014_PW_UPF201
15-
015_PW_UPF201_Al
16-
016_PW_UPF201_BLPS
17-
017_PW_UPF201_Eu
18-
018_PW_UPF201_UPF100
19-
019_PW_UPF201_USPP_Fe
20-
020_PW_UPF201_USPP_NaCl
21-
021_PW_UPF201_USPP_NCPP
22-
022_PW_DOJO
1+
001_PW_UPF100_Al
2+
002_PW_UPF100_RAPPE_Fe
3+
003_PW_UPF100_USPP_Fe
4+
004_PW_UPF201_Si
5+
005_PW_UPF201_Ce_f
6+
006_PW_UPF201_Eu
7+
007_PW_UPF201_USPP_Fe
8+
008_PW_UPF201_USPP_NaCl
9+
009_PW_UPF201_USPP
10+
010_PW_UPF201_UPF100
11+
011_PW_DJ
12+
012_PW_ONCV_LDA
13+
013_PW_ONCV_Libxc
14+
014_PW_UPF201_BLPS
15+
015_PW_GTH
16+
016_PW_BLPS
17+
017_PW_LPS6
18+
018_PW_LPS8
19+
019_PW_Coulomb
20+
021_PW_KPAR
21+
022_PW_CG
2322
023_PW_DA
2423
024_PW_DS
2524
025_PW_DS_sca
26-
026_PW_CG
2725
027_PW_PINT_RKS
2826
028_PW_PINT_UKS
2927
029_PW_15_CF_CS_S1_smallg
@@ -32,7 +30,6 @@
3230
032_PW_15_CF_CS_bspline
3331
033_PW_CF_CS_S1_smallg
3432
034_PW_CF_CS_S2_smallg
35-
035_PW_OU_CF_CS
3633
036_PW_AF
3734
037_PW_FM
3835
038_PW_NC
@@ -93,11 +90,11 @@
9390
093_PW_MSST2
9491
094_PW_NPT
9592
095_PW_NVT
96-
096_PW_KPAR
97-
097_PW_kspace
98-
098_PW_kspace3
93+
096_PW_kspace
94+
097_PW_kspace3
95+
098_PW_0TYPE
9996
099_PW_0ATOM
100-
100_PW_0TYPE
97+
100_PW_LDOS
10198
101_PW_VWR
10299
102_PW_CR_VDW3
103100
103_PW_15_SO
@@ -107,6 +104,7 @@
107104
107_PW_MD_1O
108105
108_PW_MD_2O
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109_PW_PBE0
107+
110_PW_ONCV_skip
110108
801_PW_LT_sc
111109
802_PW_LT_fcc
112110
803_PW_LT_bcc

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