educational-pwdft

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pwdft: 提交

Source code and sample for Educational-PWDFT

Commit MetaInfo

修訂	a3f3a54060110d415d8066b4bbaec85012b7e624 (tree)
時間	2018-12-10 17:22:48
作者	Mitsuaki Kawamura <kawamitsuaki@gmai...>
Commiter	Mitsuaki Kawamura

Log Message

Change Summary

• modified: sample/.gitignore (diff)
• delete: sample/Al/{bands.in => band.in}
• add: sample/AlP/al.lda.lps (diff)
• add: sample/AlP/band.in (diff)
• add: sample/AlP/p.lda.lps (diff)
• add: sample/AlP/scf.in (diff)
• add: sample/GaAs/as.lda.lps (diff)
• add: sample/GaAs/band.in (diff)
• add: sample/GaAs/ga.lda.lps (diff)
• add: sample/GaAs/scf.in (diff)
• add: sample/Mg/band.in (diff)
• add: sample/Mg/mg.lda.lps (diff)
• add: sample/Mg/scf.in (diff)
• delete: sample/MgB2/scf.in
• add: sample/Si/band.in (diff)
• add: sample/Si/scf.in (diff)
• add: sample/Si/si.lda.lps (diff)
• modified: src/Makefile (diff)
• modified: src/griddata.F90 (diff)
• modified: src/k_point.F90 (diff)
• modified: src/lobpcg.F90 (diff)
• modified: src/make.depend (diff)
• modified: src/plot.F90 (diff)
• modified: src/pwdft.F90 (diff)
• modified: src/rho_v.F90 (diff)
• modified: src/scf.F90 (diff)

差異