abacus-develop/tests/01_PW/CASES_CPU.txt at ecd49e3b9d1d33be39635ef14e8387ba9e8d3977 · deepmodeling/abacus-develop · GitHub

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001_PW_UPF100_Al
002_PW_UPF100_RAPPE_Fe
003_PW_UPF100_USPP_Fe
004_PW_UPF201_Si
005_PW_UPF201_UPF100
006_PW_UPF201_Eu
007_PW_UPF201_USPP_Fe
008_PW_UPF201_USPP_NaCl
009_PW_UPF201_USPP
010_PW_0TYPE
011_PW_0ATOM
012_PW_DJ
013_PW_ONCV_LDA
014_PW_UPF201_BLPS
015_PW_GTH
016_PW_BLPS
017_PW_LPS6
018_PW_LPS8
019_PW_Coulomb
020_PW_kspace
021_PW_kspace3
022_PW_CG
023_PW_DA
024_PW_DS
025_PW_DS_sca
026_PW_KPAR
027_PW_PINT_RKS
028_PW_PINT_UKS
029_PW_15_CF_CS_S1_smallg
030_PW_15_CF_CS_S2_smallg
031_PW_15_CF_CS
032_PW_15_CF_CS_bspline
033_PW_CF_CS_S1_smallg
034_PW_CF_CS_S2_smallg
035_PW_15_SO
036_PW_AF
037_PW_FM
038_PW_NC
039_PW_FD_smear
040_PW_FX_smear
041_PW_GA_smear
042_PW_M2_smear
043_PW_MP_smear
044_PW_MV_smear
045_PW_BD_chgmix
046_PW_KK_chgmix
047_PW_PK_chgmix
048_PW_PL_chgmix
049_PW_PU_chgmix
050_PW_CHG_mismatch
051_PW_OBOD_MemSaver
052_PW_OB
053_PW_OD
054_PW_OP_nscf
055_PW_OW
056_PW_IW
057_PW_SO_IW
058_PW_RE_MB
059_PW_RE_MB_traj
060_PW_RE_MG
061_PW_RE_NEW
062_PW_RE_PINT_RKS
063_PW_CR
064_PW_CR_fix_a
065_PW_CR_fix_ab
066_PW_CR_fix_abc
067_PW_CR_fix_ac
068_PW_CR_fix_b
069_PW_CR_fix_bc
070_PW_CR_fix_c
071_PW_CR_move
072_PW_ELF
073_PW_SY
074_PW_SY_LiRH
075_PW_CHG_BINARY
076_PW_elec_add
077_PW_elec_minus
078_PW_S2_elec_add
079_PW_S2_elec_minus
080_PW_dipole
081_PW_efield
082_PW_gatefield
083_PW_sol_H2
084_PW_sol_H2O
085_PW_get_pchg
086_PW_get_wf
087_PW_get_pchg_kpar
088_PW_get_pchg_sepk
089_PW_get_wf_kpar
090_PW_VWR
091_PW_CR_VDW3
092_PW_MSST
093_PW_MSST2
094_PW_NPT
095_PW_NVT
096_PW_PBE0
096_PW_PBE0_AFM
096_PW_PBE0_FM
097_PW_LDOS
098_PW_15_SO_avg
099_PW_DJ_SO
100_PW_W90
101_PW_MD_1O
102_PW_MD_2O
201_PW_UPF201_Ce_f
202_PW_ONCV_Libxc
203_PW_OK
204_PW_SY
205_PW_SCAN
206_PW_SCAN_S2
207_PW_skip
208_PW_CG_float
209_PW_DFTHALF
801_PW_LT_sc
802_PW_LT_fcc
803_PW_LT_bcc
804_PW_LT_hex
805_PW_LT_trigonal
806_PW_LT_st
807_PW_LT_bct
808_PW_LT_so
809_PW_LT_baco
810_PW_LT_fco
811_PW_LT_bco
812_PW_LT_sm
813_PW_LT_bacm
814_PW_LT_triclinic