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lines changed Original file line number Diff line number Diff line change 11INPUT_PARAMETERS
22#Parameters (General)
33suffix 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
66pw_seed 1
77nbands 16
88#Parameters (Accuracy)
99ecutwfc 50
10- scf_nmax 20
10+ scf_nmax 20
1111
1212basis_type pw
1313gamma_only 1
1414
15- init_wfc nao
15+ init_wfc nao
1616
1717smearing_method gauss
1818smearing_sigma 0.01
1919
2020calculation relax
21- relax_nmax 50
22- force_thr_ev 1.0e-3
21+ relax_nmax 50
22+ force_thr_ev 1.0e-3
Original file line number Diff line number Diff line change 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
2322023_PW_DA
2423024_PW_DS
2524025_PW_DS_sca
26- 026_PW_CG
2725027_PW_PINT_RKS
2826028_PW_PINT_UKS
2927029_PW_15_CF_CS_S1_smallg
3230032_PW_15_CF_CS_bspline
3331033_PW_CF_CS_S1_smallg
3432034_PW_CF_CS_S2_smallg
35- 035_PW_OU_CF_CS
3633036_PW_AF
3734037_PW_FM
3835038_PW_NC
9390093_PW_MSST2
9491094_PW_NPT
9592095_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
9996099_PW_0ATOM
100- 100_PW_0TYPE
97+ 100_PW_LDOS
10198101_PW_VWR
10299102_PW_CR_VDW3
103100103_PW_15_SO
107104107_PW_MD_1O
108105108_PW_MD_2O
109106109_PW_PBE0
107+ 110_PW_ONCV_skip
110108801_PW_LT_sc
111109802_PW_LT_fcc
112110803_PW_LT_bcc
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