Physics questions
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- spin-orbit interaction
by tak10 » Mon Jan 15, 2018 8:05 am - 2 Replies
- 285 Views
- Last post by stesch
Fri Mar 09, 2018 5:55 pm
- spin-orbit interaction
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- all electron total energy (valence and core) available?
by stesch » Tue Mar 06, 2018 10:43 am - 0 Replies
- 117 Views
- Last post by stesch
Tue Mar 06, 2018 10:43 am
- all electron total energy (valence and core) available?
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- The Problem with running vtotav.f script
by suleechem » Thu Nov 23, 2017 7:09 am - 1 Replies
- 307 Views
- Last post by admin
Mon Mar 05, 2018 3:31 pm
- The Problem with running vtotav.f script
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- The CDFT+HSE06 is not convergence
by VASP001 » Fri Mar 02, 2018 2:42 am - 0 Replies
- 103 Views
- Last post by VASP001
Fri Mar 02, 2018 2:42 am
- The CDFT+HSE06 is not convergence
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- optical transitions in vasprun.xml
by dahvyd.wing » Thu Mar 01, 2018 2:59 pm - 0 Replies
- 101 Views
- Last post by dahvyd.wing
Thu Mar 01, 2018 2:59 pm
- optical transitions in vasprun.xml
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- formation energy and cohesive energy
by IBRAHIM » Fri Feb 09, 2018 10:56 am - 1 Replies
- 192 Views
- Last post by IBRAHIM
Sun Feb 25, 2018 8:37 pm
- formation energy and cohesive energy
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- How to calculate the parity of a particular band?
by sandeep.kumar » Fri Feb 02, 2018 5:22 am - 2 Replies
- 228 Views
- Last post by sandeep.kumar
Wed Feb 21, 2018 7:32 am
- How to calculate the parity of a particular band?
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- line missing in fock.F?
by wxiaom86 » Mon Feb 19, 2018 5:46 am - 1 Replies
- 115 Views
- Last post by wxiaom86
Mon Feb 19, 2018 3:37 pm
- line missing in fock.F?
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- why ELFCAR results are different with different NPAR
by montywang » Sun Feb 11, 2018 3:08 pm - 0 Replies
- 118 Views
- Last post by montywang
Sun Feb 11, 2018 3:08 pm
- why ELFCAR results are different with different NPAR
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- Implementation of HSE with external electric filed
by konda.physics@gmail.com » Mon Feb 05, 2018 12:01 am - 0 Replies
- 108 Views
- Last post by konda.physics@gmail.com
Mon Feb 05, 2018 12:01 am
- Implementation of HSE with external electric filed
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- Special hydrogen pseudopotential for passivation
by bxm » Thu Feb 01, 2018 11:32 pm - 1 Replies
- 132 Views
- Last post by admin
Fri Feb 02, 2018 11:00 am
- Special hydrogen pseudopotential for passivation
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- Hybrid functionals with ISMEAR=-2
by IBRAHIM » Sun Dec 24, 2017 7:50 pm - 5 Replies
- 333 Views
- Last post by IBRAHIM
Wed Jan 24, 2018 9:55 am
- Hybrid functionals with ISMEAR=-2
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- band symmetries
by maxmarkov » Sat Jan 13, 2018 7:55 pm - 1 Replies
- 211 Views
- Last post by admin
Fri Jan 19, 2018 1:00 pm
- band symmetries
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- The direction of the magnetization with vasp_ncl
by tak10 » Mon Jan 15, 2018 8:07 am - 0 Replies
- 133 Views
- Last post by tak10
Mon Jan 15, 2018 8:07 am
- The direction of the magnetization with vasp_ncl
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- Electronic Entropy from OUTCAR
by rajeshraju » Tue Jan 09, 2018 1:20 pm - 0 Replies
- 178 Views
- Last post by rajeshraju
Tue Jan 09, 2018 1:20 pm
- Electronic Entropy from OUTCAR
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- Effective mass
by ashima29 » Thu Nov 02, 2017 8:05 am - 2 Replies
- 391 Views
- Last post by ashima29
Fri Dec 22, 2017 10:12 am
- Effective mass
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- Frequency Dependent Dielectric Tensor
by dscullion12 » Wed Dec 13, 2017 7:14 pm - 1 Replies
- 256 Views
- Last post by admin
Thu Dec 14, 2017 2:50 pm
- Frequency Dependent Dielectric Tensor
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- Combining finite electric field with spin orbit interaction
by umklapp_sai » Sat Dec 02, 2017 5:30 pm - 0 Replies
- 158 Views
- Last post by umklapp_sai
Sat Dec 02, 2017 5:30 pm
- Combining finite electric field with spin orbit interaction
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- higher energy orbitals in the DOSCAR?
by call_me_Al » Mon Jul 24, 2017 8:33 pm - 1 Replies
- 245 Views
- Last post by call_me_Al
Tue Nov 28, 2017 6:30 pm
- higher energy orbitals in the DOSCAR?
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- Ce_3 Potential doesn't have the f-orbital charge
by huan0001 » Mon Nov 20, 2017 3:37 pm - 1 Replies
- 211 Views
- Last post by admin
Tue Nov 21, 2017 11:33 am
- Ce_3 Potential doesn't have the f-orbital charge
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