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-33
lines changed
5 files changed +5
-33
lines changed Original file line number Diff line number Diff line change 1
- This test for:
2
- *GaAs-deformation
3
- *PW
4
- *kpoints 2*2*2
5
- *sg15 pseudopotential
6
- *smearing_method gauss
7
- *ks_solver cg
8
- *mixing_type broyden-kerker
9
- *mixing_beta 0.4
1
+ calculate stress and force
Original file line number Diff line number Diff line change 1
- Test B-spline interpolation for structure factor
2
- This test for:
3
- *GaAs-deformation
4
- *PW
5
- *kpoints 2*1*1
6
- *sg15 pseudopotential
7
- *smearing_method gauss
8
- *ks_solver cg
9
- *mixing_type broyden-kerker
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- *mixing_beta 0.4
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- *nbspline 20
1
+ Test B-spline interpolation for structure factor, *nbspline 20
Original file line number Diff line number Diff line change 1
- Fe Anti-ferromagnetic
2
- NSPIN 2
3
- pw
4
- init magnet: up + down
5
- SG15
6
-
1
+ Fe Anti-ferromagnetic, nspin 2, init magnet: up + down
Original file line number Diff line number Diff line change 1
- Fe Ferromagnetic
2
- NSPIN 2
3
- pw
4
- init magnet: up + up
5
- SG15
6
-
1
+ Fe Ferromagnetic, nspin 2, init magnet: up + up
Original file line number Diff line number Diff line change 102
102
121_PW_kspacing_3value
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103
123_PW_zero_atom
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127_PW_15_PK_AF
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- 127_PW_15_PK_AF_wfcinit
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+ # 127_PW_15_PK_AF_wfcinit
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128_PW_zero_ntype
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133_PW_DJ_PK
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135_PW_15_PK
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