Physics questions
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- antiferromagnetic static calculation get mag=-13.3597
by huan0001 » Thu Mar 29, 2018 3:33 pm - 0 Replies
- 184 Views
- Last post by huan0001
Thu Mar 29, 2018 3:33 pm
- antiferromagnetic static calculation get mag=-13.3597
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- External field units
by tfrankcombe » Thu Mar 29, 2018 6:14 am - 0 Replies
- 167 Views
- Last post by tfrankcombe
Thu Mar 29, 2018 6:14 am
- External field units
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- formation energy and cohesive energy
by IBRAHIM » Fri Feb 09, 2018 10:56 am - 2 Replies
- 331 Views
- Last post by tfrankcombe
Thu Mar 29, 2018 5:34 am
- formation energy and cohesive energy
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- vdw correction convergence problem
by chrstphr » Sat Mar 24, 2018 11:39 am - 0 Replies
- 182 Views
- Last post by chrstphr
Sat Mar 24, 2018 11:39 am
- vdw correction convergence problem
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- Magnetic anisotropy with hybrid functionals
by kuh » Fri Mar 23, 2018 3:52 am - 0 Replies
- 187 Views
- Last post by kuh
Fri Mar 23, 2018 3:52 am
- Magnetic anisotropy with hybrid functionals
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- Strange magnetization results of Pd Palladium
by byin » Mon Mar 19, 2018 5:39 pm - 0 Replies
- 175 Views
- Last post by byin
Mon Mar 19, 2018 5:39 pm
- Strange magnetization results of Pd Palladium
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- NUPDOWN tag in vasp for heterostructures?
by ashima29 » Tue Jan 16, 2018 12:26 pm - 1 Replies
- 354 Views
- Last post by admin
Wed Mar 14, 2018 4:09 pm
- NUPDOWN tag in vasp for heterostructures?
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- Parity using WAVECAR?
by sandeep.kumar » Wed Mar 14, 2018 11:40 am - 0 Replies
- 180 Views
- Last post by sandeep.kumar
Wed Mar 14, 2018 11:40 am
- Parity using WAVECAR?
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- Orbital-resolved magnetic anisotropy energies
by Rarras » Tue Mar 13, 2018 6:39 pm - 0 Replies
- 206 Views
- Last post by Rarras
Tue Mar 13, 2018 6:39 pm
- Orbital-resolved magnetic anisotropy energies
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- Linear response tddft using meta-GGA functional
by subrata » Sat Mar 10, 2018 6:34 pm - 0 Replies
- 160 Views
- Last post by subrata
Sat Mar 10, 2018 6:34 pm
- Linear response tddft using meta-GGA functional
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- spin-orbit interaction
by tak10 » Mon Jan 15, 2018 8:05 am - 2 Replies
- 396 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
- 150 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
- 418 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
- 150 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
- 144 Views
- Last post by dahvyd.wing
Thu Mar 01, 2018 2:59 pm
- optical transitions in vasprun.xml
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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
- 337 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
- 140 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
- 156 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
- 143 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
- 176 Views
- Last post by admin
Fri Feb 02, 2018 11:00 am
- Special hydrogen pseudopotential for passivation
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