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- Units for optical matrix elements in WAVEDERF
by rubel » Sun Mar 18, 2018 5:32 pm - 1 Replies
- 285 Views
- Last post by tomasz.w
Tue Jun 19, 2018 4:04 pm
- Units for optical matrix elements in WAVEDERF
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- Negative parts of elastic tensor from VASP
by filip.formalik » Fri Jun 15, 2018 2:30 pm - 0 Replies
- 149 Views
- Last post by filip.formalik
Fri Jun 15, 2018 2:30 pm
- Negative parts of elastic tensor from VASP
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- vdW corrections in eV from BEEF in vasp
by luckylin » Tue Jun 12, 2018 3:33 pm - 0 Replies
- 131 Views
- Last post by luckylin
Tue Jun 12, 2018 3:33 pm
- vdW corrections in eV from BEEF in vasp
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- Smearing and Broadening
by kkang14 » Mon May 28, 2018 6:12 pm - 0 Replies
- 174 Views
- Last post by kkang14
Mon May 28, 2018 6:12 pm
- Smearing and Broadening
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- Contraint electron in one of the degenerate orbitals
by baranas » Fri May 25, 2018 11:57 am - 0 Replies
- 140 Views
- Last post by baranas
Fri May 25, 2018 11:57 am
- Contraint electron in one of the degenerate orbitals
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- Electric field applied band structure
by biswajit@ball » Wed May 23, 2018 7:49 am - 0 Replies
- 200 Views
- Last post by biswajit@ball
Wed May 23, 2018 7:49 am
- Electric field applied band structure
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- charge density difference
by biswajit@ball » Tue May 15, 2018 11:57 am - 2 Replies
- 337 Views
- Last post by biswajit@ball
Thu May 17, 2018 8:04 pm
- charge density difference
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- How to define LANGEVIN_GAMMA, LANGEVIN_GAMMA_L and PMASS par
by nykondalu » Thu May 17, 2018 3:21 am - 0 Replies
- 147 Views
- Last post by nykondalu
Thu May 17, 2018 3:21 am
- How to define LANGEVIN_GAMMA, LANGEVIN_GAMMA_L and PMASS par
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- DIPOL for Berry phase calculation
by wxiaom86 » Wed Mar 21, 2018 1:32 am - 6 Replies
- 649 Views
- Last post by rubel
Wed May 02, 2018 5:35 pm
- DIPOL for Berry phase calculation
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- Binding energy of C 1s by ICORELEVEL tag
by ljzhang123 » Mon Apr 30, 2018 3:47 pm - 0 Replies
- 140 Views
- Last post by ljzhang123
Mon Apr 30, 2018 3:47 pm
- Binding energy of C 1s by ICORELEVEL tag
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- H diffusion pathway using NEB and CI-NEB
by anilboda » Fri Nov 10, 2017 5:54 am - 1 Replies
- 354 Views
- Last post by Kester
Wed Apr 25, 2018 11:50 am
- H diffusion pathway using NEB and CI-NEB
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- Dipole correction position in OUTCAR
by augolotti » Fri Apr 20, 2018 10:32 pm - 0 Replies
- 219 Views
- Last post by augolotti
Fri Apr 20, 2018 10:32 pm
- Dipole correction position in OUTCAR
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- PARCHG file
by IBRAHIM » Mon Mar 26, 2018 2:00 pm - 2 Replies
- 307 Views
- Last post by IBRAHIM
Wed Apr 18, 2018 2:01 pm
- PARCHG file
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- LOCPOT file...Second data-set
by DannyVanpoucke » Mon Apr 16, 2018 2:03 pm - 0 Replies
- 247 Views
- Last post by DannyVanpoucke
Mon Apr 16, 2018 2:03 pm
- LOCPOT file...Second data-set
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- Can we use VASP ionic relaxations for machine learning?
by byin » Thu Apr 12, 2018 5:11 pm - 0 Replies
- 259 Views
- Last post by byin
Thu Apr 12, 2018 5:11 pm
- Can we use VASP ionic relaxations for machine learning?
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- Coulomb Truncation for GW Calculations
by dscullion12 » Wed Apr 11, 2018 6:07 pm - 0 Replies
- 201 Views
- Last post by dscullion12
Wed Apr 11, 2018 6:07 pm
- Coulomb Truncation for GW Calculations
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- TDHF calculation for structure optimization
by Gu Chenjie » Tue Apr 10, 2018 4:59 am - 0 Replies
- 197 Views
- Last post by Gu Chenjie
Tue Apr 10, 2018 4:59 am
- TDHF calculation for structure optimization
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- indirect exciton binding energy
by leegeunsik » Wed Apr 04, 2018 6:49 am - 0 Replies
- 207 Views
- Last post by leegeunsik
Wed Apr 04, 2018 6:49 am
- indirect exciton binding energy
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- How can we calculate the power conversion efficiency in VASP
by ashima29 » Tue Apr 03, 2018 6:23 am - 0 Replies
- 182 Views
- Last post by ashima29
Tue Apr 03, 2018 6:23 am
- How can we calculate the power conversion efficiency in VASP
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- The ionic coordinates in XDATCAR is wrapped or unwrapped?
by suen » Fri Mar 23, 2018 1:15 pm - 3 Replies
- 281 Views
- Last post by suen
Fri Mar 30, 2018 10:38 am
- The ionic coordinates in XDATCAR is wrapped or unwrapped?
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