What's new
- 2024/06/28
- For the norm conserving pseudopotentiials within FPSEID21 format, new comments on P atom were added.
- 2024/03/25
- Manual addition in section of 'how to run "cg_exe" '. For 'Aurora' users, the "FORT" command in the job-script should be rewritten as "VE_FORT" for file I/O/ assignments. This is common in job-scripts for "sd_exe!" and "tddft_exe. "
- 2023/11/10
- A new page (see bottom) is open for pseudopotentials with FPSEID21 format
-Norm-conserving pseudopotentials are available for He, P, Ni, Zn, Ag, Pt, and Au atoms. Additional note for Al pseudopotentials.
- 2023/08/16
- A paper using FPEID21 has been published
Y. Miyamoto, "Decay process of photoexcited divacancies in diamond studied by first-principles simulations", Phys. Rev. Materials, Vol. 7, 086002 (2023)DOI:10.1103/PhysRevMaterials.7.086002
- 2023/08/16
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- A paper using FPEID21 has been published
Y. Miyamoto, "Decay process of photoexcited divacancies in diamond studied by first-principles simulations", Phys. Rev. Materials, Vol. 7, 086002 (2023)DOI:10.1103/PhysRevMaterials.7.086002
- 2023/08/08
- FPSEID21has been able to use Cyberscience Center at Tohoku University. Please visit their website (Sorry in Japanese).
- 2023/7/21
- A manual for compiling was modified regarding usage of 'fftw package.'
- 2023/6/30
- A paper using FPSEID21 has been published
Y. Miyamoto, "Polarization Dependence of Laser-Induced Dynamics on Non-Flat Metal Surfaces: A Time-Dependent Density Functional Theory Approach", J. Phys. Chem. A, Vol. 127, 4338 (2023). DOI: 10.1021/acs.jpca.3c00189
- 2022/8/9
- A new page (see bottom) is open for pseudopotentials with FPSEID21 format
-Norm-conserving pseudopotentials are available for H, He, C, B, N, O, F, Al, Si, S, Cl, Ti, Cu, Ga, and Y atoms
- 2022/8/2
- Opened the FPSEID21 official site
-Norm-conserving pseudopotentials with specific data format for FPSEID21 are available for Si, and H
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