cp2k/data at master · RubenStaub/cp2k · GitHub

Name		Name	Last commit message	Last commit date
parent directory ..
DFTB		DFTB
xc_section		xc_section
ALL_BASIS_SETS		ALL_BASIS_SETS
ALL_POTENTIALS		ALL_POTENTIALS
BASIS_ADMM		BASIS_ADMM
BASIS_ADMM_MOLOPT		BASIS_ADMM_MOLOPT
BASIS_LRIGPW_AUXMOLOPT		BASIS_LRIGPW_AUXMOLOPT
BASIS_MINIX		BASIS_MINIX
BASIS_MOLOPT		BASIS_MOLOPT
BASIS_MOLOPT_UCL		BASIS_MOLOPT_UCL
BASIS_RI_cc-TZ		BASIS_RI_cc-TZ
BASIS_SET		BASIS_SET
BASIS_ZIJLSTRA		BASIS_ZIJLSTRA
BASIS_def2_QZVP_RI_ALL		BASIS_def2_QZVP_RI_ALL
BASIS_pob		BASIS_pob
ECP_POTENTIALS		ECP_POTENTIALS
EMSL_BASIS_SETS		EMSL_BASIS_SETS
GTH_BASIS_SETS		GTH_BASIS_SETS
GTH_POTENTIALS		GTH_POTENTIALS
HFX_BASIS		HFX_BASIS
HF_POTENTIALS		HF_POTENTIALS
MM_POTENTIAL		MM_POTENTIAL
NLCC_POTENTIALS		NLCC_POTENTIALS
POTENTIAL		POTENTIAL
README		README
dftd3.dat		dftd3.dat
nm12_parameters.xml		nm12_parameters.xml
rVV10_kernel_table.dat		rVV10_kernel_table.dat
t_c_g.dat		t_c_g.dat
t_sh_p_s_c.dat		t_sh_p_s_c.dat
vdW_kernel_table.dat		vdW_kernel_table.dat
xTB_parameters		xTB_parameters

README

# The POTENTIAL file has been created by
cat GTH_POTENTIALS HF_POTENTIALS NLCC_POTENTIALS ALL_POTENTIALS >POTENTIAL