Bad termination when setting out_mat_hs=true/True.

[ErjieWu]

Describe the bug

When running ABACUS with input parameter out_mat_hs=1, it works normally. But if I set out_mat_hs=True or true, it will throw a termination as follows:

Expected behavior

No response

To Reproduce

The full INPUT file is:

INPUT_PARAMETERS
# Created by Atomic Simulation Enviroment
ntype                                   1
ecutwfc                                 100
scf_nmax                                100
smearing_method                         gaussian
smearing_sigma                          0.002
basis_type                              lcao
ks_solver                               genelpa
mixing_type                             pulay
mixing_beta                             0.7
scf_thr                                 1e-07
symmetry                                0
calculation                             scf
force_thr                               0.001
kspacing                                0.08
lspinorb                                0
dft_functional                          hse
init_chg                                file
out_mat_hs                              true

STRU:

ATOMIC_SPECIES
Si  28.085        Si_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
Si_gga_7au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
1.8897261258369282

LATTICE_VECTORS
5.4437020000      0.0000000000      0.0000000000
0.0000000000      5.4437020000      0.0000000000
0.0000000000      0.0000000000      5.4437020000

ATOMIC_POSITIONS
Direct

Si
0.0000000000
8
0.9998180000 0.9930840000 0.0002490000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.9988170000 0.5025970000 0.5036740000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.4969490000 0.5004760000 0.0053650000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.5033170000 0.9987410000 0.4977020000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.7471640000 0.2589800000 0.7582050000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.2489230000 0.2472750000 0.2563730000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.2531180000 0.7474660000 0.7389000000 1 1 1 v 0.0 0.0 0.0 mag 0.0
0.7518960000 0.7513820000 0.2395340000 1 1 1 v 0.0 0.0 0.0 mag 0.0

Environment

No response

Additional Context

No response

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[kirk0830]

you should use 1 instead of true, the throw of stoi means converting from string to integer.

[mohanchen]

http://abacus.deepmodeling.com/en/latest/advanced/input_files/input-main.html#out-mat-hs

[mohanchen]

A nice question, it seems that you need to put 1 or 0, as described in the online document.

[kirk0830]

A nice question, it seems that you need to put 1 or 0, as described in the online document.

@mohanchen other users used to have suggestions on this, maybe a simple function supporting 1, T, True, .TRUE., etc can solve this more gracefully, and this is what the solution of VASP.

[ErjieWu]

A nice question, it seems that you need to put 1 or 0, as described in the online document.

The online document may have some issues as it requires users to use Boolean variable.

[kirk0830]

@ErjieWu ouch, thanks, now I realize what the real problem is. I will reopen this issue. Thanks for your comments.