Physics questions
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- Free Energy Calculation Using Blue-moon Method
by mhl980 » Mon Apr 30, 2018 3:58 am - 3 Replies
- 384 Views
- Last post by admin
Thu Oct 11, 2018 10:26 am
- Free Energy Calculation Using Blue-moon Method
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- dielectric constant calculation
by leisy » Thu Oct 11, 2018 10:07 am - 0 Replies
- 9 Views
- Last post by leisy
Thu Oct 11, 2018 10:07 am
- dielectric constant calculation
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- AIMD - RDF - PMF - pKa calculation?
by jinylee » Wed Oct 10, 2018 10:54 am - 0 Replies
- 6 Views
- Last post by jinylee
Wed Oct 10, 2018 10:54 am
- AIMD - RDF - PMF - pKa calculation?
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- Plz example of MDALGO=21
by jinylee » Wed Oct 10, 2018 10:47 am - 0 Replies
- 7 Views
- Last post by jinylee
Wed Oct 10, 2018 10:47 am
- Plz example of MDALGO=21
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- Charged Slab
by IBRAHIM » Wed Sep 26, 2018 6:24 am - 3 Replies
- 85 Views
- Last post by IBRAHIM
Tue Oct 02, 2018 1:47 am
- Charged Slab
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- How to treat f electrons as valence?
by amin » Wed Sep 26, 2018 10:01 pm - 1 Replies
- 39 Views
- Last post by admin
Thu Sep 27, 2018 2:00 pm
- How to treat f electrons as valence?
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- Symmetry and k-point in AIMD
by jinylee » Fri Sep 14, 2018 7:51 am - 1 Replies
- 112 Views
- Last post by admin
Wed Sep 19, 2018 9:26 am
- Symmetry and k-point in AIMD
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- light polarization in BSE
by wxiaom86 » Sun Aug 19, 2018 4:54 am - 0 Replies
- 83 Views
- Last post by wxiaom86
Sun Aug 19, 2018 4:54 am
- light polarization in BSE
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- spin orbit matrix
by wxiaom86 » Thu Aug 02, 2018 10:38 pm - 1 Replies
- 102 Views
- Last post by wxiaom86
Thu Aug 09, 2018 3:18 am
- spin orbit matrix
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- Wavefunction characters
by jlrch » Fri Aug 03, 2018 12:20 am - 1 Replies
- 117 Views
- Last post by admin
Wed Aug 08, 2018 8:26 am
- Wavefunction characters
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- Electron and hole carrier densities using VASP
by sandeep.kumar » Tue Aug 07, 2018 6:11 am - 0 Replies
- 72 Views
- Last post by sandeep.kumar
Tue Aug 07, 2018 6:11 am
- Electron and hole carrier densities using VASP
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- Carrier doping in VASP
by c@chakravarty » Thu Jul 26, 2018 12:56 pm - 3 Replies
- 128 Views
- Last post by shash
Mon Jul 30, 2018 10:20 pm
- Carrier doping in VASP
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- How to compute atom dipole moment?
by jugantaroy » Wed Jul 25, 2018 8:43 pm - 2 Replies
- 137 Views
- Last post by jugantaroy
Mon Jul 30, 2018 2:19 am
- How to compute atom dipole moment?
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- NC-PAW potentials
by wxiaom86 » Mon Jun 25, 2018 4:00 pm - 1 Replies
- 166 Views
- Last post by admin
Mon Jul 23, 2018 9:46 am
- NC-PAW potentials
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- GW calculations one k point at a time?
by wxiaom86 » Fri Jul 13, 2018 1:53 am - 1 Replies
- 99 Views
- Last post by admin
Mon Jul 23, 2018 9:37 am
- GW calculations one k point at a time?
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- wrong order of eigenvalues with GW
by wxiaom86 » Sat Jul 14, 2018 11:41 pm - 2 Replies
- 97 Views
- Last post by wxiaom86
Thu Jul 19, 2018 7:31 pm
- wrong order of eigenvalues with GW
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- ENCUT AND KPOINTS questions
by ufo991 » Wed Apr 18, 2018 5:27 am - 1 Replies
- 330 Views
- Last post by admin
Wed Jul 18, 2018 2:24 pm
- ENCUT AND KPOINTS questions
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- HSE06 calculation for 2D materials
by ashima29 » Fri Jun 22, 2018 2:05 pm - 0 Replies
- 186 Views
- Last post by ashima29
Fri Jun 22, 2018 2:05 pm
- HSE06 calculation for 2D materials
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- Is DFPT+U possible?
by smattsson » Thu Jun 21, 2018 3:04 pm - 0 Replies
- 122 Views
- Last post by smattsson
Thu Jun 21, 2018 3:04 pm
- Is DFPT+U possible?
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