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- 11:50, 5 June 2012 (diff | hist) (+56) Constraining local magnetic moments
- 11:49, 5 June 2012 (diff | hist) (+1,055) N Constraining local magnetic moments (Created page with 'Description: ---- *INCAR <pre> SYSTEM = Fe dimer ISTART = 0 ISYM = 0 LNONCOLLINEAR = .TRUE. MAGMOM = 0 0 3 0 0 3 VOSKOWN = 1 LORBIT …')
- 11:47, 5 June 2012 (diff | hist) (+731) N Spin-orbit coupling in a Ni monolayer (Created page with 'Description: Spin-orbit coupling (SOC) in a freestanding Ni monolayer. ---- *INCAR <pre> SYSTEM = Ni (100) monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEA…')
- 11:45, 5 June 2012 (diff | hist) (+731) N Spin-orbit coupling in a Fe monolayer (Created page with 'Description: Spin-orbit coupling (SOC) in a freestanding Fe monolayer. ---- *INCAR <pre> SYSTEM = Fe (100) monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEA…')
- 11:37, 5 June 2012 (diff | hist) (+897) N NiO LSDA+U (Created page with 'Description: antiferromagnetic NiO in the LSDA+U (Dudarev's approach). ---- *INCAR <pre> SYSTEM = NiO ISTART = 0 ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 ENMAX = 250.0 ED…')
- 11:31, 5 June 2012 (diff | hist) (+674) N NiO (Created page with 'Description: NiO, an antiferromagnet. ---- *INCAR <pre> SYSTEM = NiO ISTART = 0 ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 ENMAX = 250.0 EDIFF = 1E-3 ISMEAR = -5 AMI…')
- 11:29, 5 June 2012 (diff | hist) (+15) Fcc Ni (revisited)
- 11:28, 5 June 2012 (diff | hist) (+555) N Fcc Ni (revisited) (Created page with 'Description: spin polarized fcc Ni. ---- *INCAR <pre> SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = -5 VOSKOWN = 1 LORBIT = 11 </pre> *KPOINTS <pre> k…')
- 11:16, 5 June 2012 (diff | hist) (+1,748) N Vibrational frequencies of CO on Ni 111 surface (Created page with 'Description: compute the vibrational frequencies of CO@Ni(111) (on top). ---- *INCAR <pre> SYSTEM= CO on Ni111 - frequencies general: ENMAX = 400 ISMEAR = 2 ; SIG…')
- 11:12, 5 June 2012 (diff | hist) (0) Ni 111 surface high precision
- 11:12, 5 June 2012 (diff | hist) (+1,810) N Partial DOS of CO on Ni 111 surface (Created page with 'Description: compute the work function and partial DOS of a CO@Ni (111) surface, adsorbed on top. ---- *INCAR <pre> general: ENMAX = 400 SYSTEM = CO adsorption on Ni(111) …')
- 11:08, 5 June 2012 (diff | hist) (+961) N Ni 111 surface high precision (Created page with 'Description: compute the work function of a Ni (111) surface. ---- *INCAR <pre> ENMAX = 400 general: SYSTEM = clean nickel (111) surface ISTART = 0 ICHARG = 2 IS…')
- 10:59, 5 June 2012 (diff | hist) (+1,078) N CO on Ni 111 surface (Created page with 'Description: adsorb a CO molecule at the top site of a Ni (111) surface. ---- *INCAR <pre> ISTART = 0 ICHARG = 2 general: SYSTEM = CO adsorption on Ni(111) ENMAX …')
- 10:57, 5 June 2012 (diff | hist) (+964) N Ni 111 surface relaxation (Created page with 'Description: relax the first two layers of a Ni (111) surface. ---- *INCAR <pre> general: ISTART = 0 ICHARG = 2 SYSTEM = clean (111) surface ENMAX = 270 ISMEAR …')
- 10:55, 5 June 2012 (diff | hist) (+30) Ni 100 surface bandstructure
- 10:54, 5 June 2012 (diff | hist) (+1,998) N Ni 100 surface bandstructure (Created page with 'Description: the bandstructure of a Ni (100) surface. ---- *INCAR <pre> ICHARG = 11 general: SYSTEM = clean (100) nickel surface ENMAX = 270 ISMEAR = 2 ; SIGMA =…')
- 10:45, 5 June 2012 (diff | hist) (+1,550) N Ni 100 surface DOS (Created page with 'Description: the local density of states (LDOS) of a Ni (100) surface. ---- *INCAR <pre> general: SYSTEM = clean (100) Ni surface ISMEAR = -5 ALGO=V spin: ISPIN…')
- 10:42, 5 June 2012 (diff | hist) (+932) N Ni 100 surface relaxation (Created page with 'Description: relax the first two layers of a Ni (100) surface. ---- *INCAR <pre> ISTART = 0; ICHARG = 2 general: SYSTEM = clean Ni(100) surface ENCUT = 270 ISMEA…')
- 10:23, 5 June 2012 (diff | hist) (-22) Liquid Si - Freezing
- 10:23, 5 June 2012 (diff | hist) (+183) Liquid Si - Freezing
- 10:22, 5 June 2012 (diff | hist) (+4,185) N Liquid Si - Freezing (Created page with 'Description: <tt>script</tt> performs molecular dynamics runs on liquid Si a decreasing temperatures, starting at 2000 K and ending at 800 K. This should contain the transition f…')
- 23:55, 19 July 2011 (diff | hist) (+1,001) N LORBIT (Created page with '{{TAGDEF|LORBIT|0 {{!}} 1 {{!}} 2 {{!}} 5 {{!}} 10 {{!}} 11 {{!}} 12 | None }} Description: {{TAG|LORBIT}}, together with an appropriate {{TAG|RWIGS}}, determines whether the {{…')
- 23:03, 19 July 2011 (diff | hist) (0) I CONSTRAINED M
- 12:43, 19 July 2011 (diff | hist) (-16) LSORBIT
- 00:16, 1 June 2011 (diff | hist) (+4) SAXIS
- 00:14, 1 June 2011 (diff | hist) (+5,739) SAXIS
- 00:08, 1 June 2011 (diff | hist) (+81) LSORBIT
- 23:57, 31 May 2011 (diff | hist) (+16) SAXIS (→Related Tags and Sections)
- 23:54, 31 May 2011 (diff | hist) (+251) N SAXIS (Created page with '{{TAGDEF|SAXIS|[real array]| 0+ 0 1}} Description: {{TAG|SAXIS}} specifies the quantisation axis for noncollinear spins. ---- == Related Tags and Sections == {{TAG|LSORBIT}}, {{…')
- 02:28, 26 May 2011 (diff | hist) (+1) ISMEAR
- 02:28, 26 May 2011 (diff | hist) (+1) FERWE
- 02:28, 26 May 2011 (diff | hist) (+1) FERDO
- 17:48, 25 May 2011 (diff | hist) (-8) NFREE
- 17:48, 25 May 2011 (diff | hist) (-8) SPRING
- 17:47, 25 May 2011 (diff | hist) (-8) IMAGES
- 17:22, 25 May 2011 (diff | hist) (0) FERDO (→Related Tags and Sections)
- 17:22, 25 May 2011 (diff | hist) (-25) FERDO
- 17:21, 25 May 2011 (diff | hist) (+657) N FERDO (Created page with '{{TAGDEF|FERDO|[real array]}} Description: {{TAG|FERDO}} sets the occupancies of the states in the down-spin channel for {{TAG|ISMEAR}}=-2 and {{TAG|ISPIN}}=2. ---- To set the o…')
- 17:18, 25 May 2011 (diff | hist) (-20) ISMEAR
- 17:17, 25 May 2011 (diff | hist) (+245) FERWE
- 17:10, 25 May 2011 (diff | hist) (+50) ISMEAR
- 16:56, 25 May 2011 (diff | hist) (+475) N FERWE (Created page with '{{TAGDEF|FERWE|[real array]}} Description: {{TAG|FERWE}} sets the occupancies of the states for {{TAG|ISMEAR}}=-2. ---- In case of spin-polarized calculations ({{TAG|ISPIN}}=2),…')
- 16:22, 25 May 2011 (diff | hist) (+84) ISMEAR
- 14:06, 24 May 2011 (diff | hist) (-1) SIGMA
- 20:25, 23 May 2011 (diff | hist) (+205) N SIGMA (Created page with '{{TAGDEF|SIGMA|[real]|0.2}} Description: {{TAG|SIGMA}} determines the width of the smearing in eV. ---- == Related Tags and Sections == {{TAG|ISMEAR}} ---- [[The_VASP_Manual|Con…')
- 16:58, 23 May 2011 (diff | hist) (+743) ISMEAR
- 16:51, 23 May 2011 (diff | hist) (+7) ISMEAR
- 16:47, 23 May 2011 (diff | hist) (+2,554) ISMEAR
- 16:34, 23 May 2011 (diff | hist) (+167) ISMEAR
- 16:29, 23 May 2011 (diff | hist) (+484) ISMEAR
- 16:12, 23 May 2011 (diff | hist) (+1) ISMEAR
- 16:12, 23 May 2011 (diff | hist) (+710) ISMEAR
- 01:26, 23 May 2011 (diff | hist) (+30) ISMEAR
- 23:20, 22 May 2011 (diff | hist) (+649) N ISMEAR (Created page with '{{TAGDEF|ISMEAR|-5 {{!}} -4 {{!}} -3 {{!}} -2 {{!}} -1 {{!}} 0 {{!}} [integer]>0 |1}} Description: {{TAG|ISMEAR}} determines how the partial occupancies ''f''<sub>n'''k'''</sub>…')
- 09:09, 7 April 2011 (diff | hist) (-11) LWRITE MMN AMN
- 23:14, 6 April 2011 (diff | hist) (+32) LWRITE MMN AMN
- 23:13, 6 April 2011 (diff | hist) (+393) LWRITE MMN AMN
- 23:09, 6 April 2011 (diff | hist) (+410) N LWRITE MMN AMN (Created page with '{{TAGDEF|LWRITE_MMN_AMN|.TRUE. {{!}} .FALSE.}} {{DEF|LWRITE_MMN_AMN|.TRUE.|if {{TAG|LWANNIER90}}{{=}}.TRUE.|.FALSE.|otherwise}} Description: {{TAG|LWRITE_MMN_AMN}}=.TRUE. tells …')
- 22:57, 6 April 2011 (diff | hist) (+757) LWANNIER90 RUN
- 22:32, 6 April 2011 (diff | hist) (+24) LWANNIER90
- 22:31, 6 April 2011 (diff | hist) (+25) LWANNIER90 RUN
- 22:28, 6 April 2011 (diff | hist) (+382) N LWANNIER90 RUN (Created page with '{{TAGDEF|LWANNIER90_RUN|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LWANNIER90_RUN}} runs <tt>wannier_setup</tt> (see {{TAG|LWANNIER90}}=.TRUE.) and subsequently executes …')
- 14:23, 5 April 2011 (diff | hist) (-22) LWANNIER90
- 14:18, 5 April 2011 (diff | hist) (+166) LWANNIER90
- 14:10, 5 April 2011 (diff | hist) (+16) LWANNIER90
- 14:09, 5 April 2011 (diff | hist) (+200) LWANNIER90
- 14:06, 5 April 2011 (diff | hist) (+2) LWANNIER90
- 11:39, 5 April 2011 (diff | hist) (0) LWANNIER90
- 11:39, 5 April 2011 (diff | hist) (-35) LWANNIER90
- 11:38, 5 April 2011 (diff | hist) (+7) LWANNIER90
- 11:38, 5 April 2011 (diff | hist) (+35) LWANNIER90
- 11:36, 5 April 2011 (diff | hist) (+1) LWANNIER90
- 11:35, 5 April 2011 (diff | hist) (+2,124) LWANNIER90
- 10:56, 5 April 2011 (diff | hist) (+449) LWANNIER90
- 10:46, 5 April 2011 (diff | hist) (+116) LWANNIER90
- 10:43, 5 April 2011 (diff | hist) (+160) LWANNIER90
- 10:40, 5 April 2011 (diff | hist) (+290) LWANNIER90
- 10:33, 5 April 2011 (diff | hist) (+39) N LWANNIER90 (Created page with '{{TAGDEF|LWANNIER90|[logical]|.FALSE.}}')
- 23:45, 29 March 2011 (diff | hist) (+940) N EBREAK (Created page with '{{TAGDEF|EBREAK|[real]|{{TAG|EDIFF}}/{{TAG|NBANDS}}/4}} Description: {{TAG|EBREAK}} specifies an absolute stopping criterion for the optimization of an eigenvalue. ---- The tags…')
- 23:41, 29 March 2011 (diff | hist) (-16) DEPER (→Related Tags and Sections)
- 23:39, 29 March 2011 (diff | hist) (+4) DEPER
- 23:38, 29 March 2011 (diff | hist) (+1,010) N DEPER (Created page with '{{TAGDEF|DEPER|[real]|0.3}} Description: {{TAG|DEPER}} specifies a relative stopping criterion for optimization of an eigenvalue. ---- The tags {{TAG|DEPER}}, {{TAG|WEIMIN}}, an…')
- 23:34, 29 March 2011 (diff | hist) (-21) WEIMIN
- 23:32, 29 March 2011 (diff | hist) (+884) WEIMIN
- 23:27, 29 March 2011 (diff | hist) (+354) N WEIMIN (Created page with '{{TAGDEF|WEIMIN|[real]}} {{DEF|WEIMIN|0.001|for {{TAG|IBRION}}≥0|0|for {{TAG|IBRION}}{{=}}−1}} Description: {{TAG|WEIMIN}} specifies the maximum weight for a band to be…')
- 23:18, 29 March 2011 (diff | hist) (-1) NSIM (→Related Tags and Sections)
- 23:18, 29 March 2011 (diff | hist) (-1) NDAV
- 23:17, 29 March 2011 (diff | hist) (+251) N NDAV (Created page with '{{TAGDEF|NDAV|[integer]|4}} Description: {{TAG|NDAV}} sets the maximum number of iterative steps per bands per RMM-DIIS step ({{TAG|IALGO}}=4X). ---- == Related Tags and Section…')
- 23:08, 29 March 2011 (diff | hist) (+1) NSIM
- 23:08, 29 March 2011 (diff | hist) (+725) N NSIM (Created page with '{{TAGDEF|NSIM|[integer]|4}} Description: {{TAG|NSIM}} sets the number of band that are optimized simultaneously by the RMM-DIIS algorithm. ---- The RMM-DIIS algorithm ({{TAG|IAL…')
- 22:54, 29 March 2011 (diff | hist) (0) NFREE
- 22:53, 29 March 2011 (diff | hist) (+18) NFREE
- 22:52, 29 March 2011 (diff | hist) (-7) NFREE
- 22:51, 29 March 2011 (diff | hist) (-8) NFREE
- 22:49, 29 March 2011 (diff | hist) (-1) SPRING
- 22:48, 29 March 2011 (diff | hist) (+2) NBLOCK
- 22:47, 29 March 2011 (diff | hist) (+10) KBLOCK
- 22:47, 29 March 2011 (diff | hist) (-4) NBLOCK
- 22:47, 29 March 2011 (diff | hist) (+4) NBLOCK (→Related Tags and Sections)
- 22:45, 29 March 2011 (diff | hist) (-10) KBLOCK
- 22:45, 29 March 2011 (diff | hist) (-10) NBLOCK
- 22:31, 29 March 2011 (diff | hist) (+24) TEEND
- 22:30, 29 March 2011 (diff | hist) (0) TEEND
- 22:30, 29 March 2011 (diff | hist) (+309) N TEEND (Created page with '{{TAGDEF|TEEND|[real]|{{TAG|TEBEG}}}} Description: {{TAG|TEBEG}} sets the final temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0). ---- == Related Tags and …')
- 22:21, 29 March 2011 (diff | hist) (+16) TEBEG
- 22:19, 29 March 2011 (diff | hist) (+1,360) N TEBEG (Created page with '{{TAGDEF|TEBEG|[real]|0}} Description: {{TAG|TEBEG}} sets the start temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0). ---- If no initial velocities are sup…')
- 19:28, 29 March 2011 (diff | hist) (+14) NOMEGAR
- 19:27, 29 March 2011 (diff | hist) (+3) NOMEGAR
- 19:26, 29 March 2011 (diff | hist) (+8) NOMEGAR
- 19:03, 29 March 2011 (diff | hist) (+5) SMASS
- 19:03, 29 March 2011 (diff | hist) (+1) SMASS
- 19:02, 29 March 2011 (diff | hist) (-65) SMASS
- 19:00, 29 March 2011 (diff | hist) (+52) SMASS (→References)
- 18:56, 29 March 2011 (diff | hist) (+12) SMASS (→References)
- 18:55, 29 March 2011 (diff | hist) (+1) SMASS
- 18:54, 29 March 2011 (diff | hist) (+2,551) SMASS
- 10:26, 28 March 2011 (diff | hist) (+176) SMASS
- 08:36, 28 March 2011 (diff | hist) (+186) N SMASS (Created page with '{{TAGDEF|SMASS|-3 {{!}} -2 {{!}} -1 {{!}} [real] ≥ 0|-3}} Description: ---- == Related Tags and Sections == ---- Contents Category:INCAR[[Category:Dy…')
- 19:34, 27 March 2011 (diff | hist) (-5) The VASP Manual
- 19:33, 27 March 2011 (diff | hist) (+1) The VASP Manual
- 19:33, 27 March 2011 (diff | hist) (+4) The VASP Manual
- 19:31, 27 March 2011 (diff | hist) (+3) The VASP Manual
- 16:39, 27 March 2011 (diff | hist) (+63) The VASP Manual (→Output)
- 16:37, 27 March 2011 (diff | hist) (+16) The VASP Manual (→Output)
- 16:34, 27 March 2011 (diff | hist) (+1) The VASP Manual
- 16:34, 27 March 2011 (diff | hist) (-46) The VASP Manual
- 16:34, 27 March 2011 (diff | hist) (-25) The VASP Manual
- 16:11, 27 March 2011 (diff | hist) (+40) The VASP Manual (→Output)
- 16:07, 27 March 2011 (diff | hist) (-5) The VASP Manual (→Howto's)
- 16:06, 27 March 2011 (diff | hist) (-6) The VASP Manual (→Getting started)
- 16:06, 27 March 2011 (diff | hist) (+22) The VASP Manual (→Getting started)
- 16:05, 27 March 2011 (diff | hist) (+48) The VASP Manual (→Getting started)
- 16:04, 27 March 2011 (diff | hist) (+19) The VASP Manual (→Getting started)
- 16:03, 27 March 2011 (diff | hist) (+6) The VASP Manual (→About this manual)
- 16:02, 27 March 2011 (diff | hist) (-38) The VASP Manual
- 15:58, 27 March 2011 (diff | hist) (-44) The VASP Manual
- 15:56, 27 March 2011 (diff | hist) (-3) The VASP Manual (→Installation and validation)
- 15:55, 27 March 2011 (diff | hist) (+47) The VASP Manual
- 15:53, 27 March 2011 (diff | hist) (+139) The VASP Manual (→Installation and validation)
- 15:46, 27 March 2011 (diff | hist) (-2) The VASP Manual (→About this manual)
- 15:46, 27 March 2011 (diff | hist) (+1) The VASP Manual (→About this manual)
- 15:45, 27 March 2011 (diff | hist) (+2) The VASP Manual (→About this manual)
- 15:41, 27 March 2011 (diff | hist) (+18) The VASP Manual (→Postprocessing)
- 15:40, 27 March 2011 (diff | hist) (+153) The VASP Manual
- 15:38, 27 March 2011 (diff | hist) (0) The VASP Manual (→Output)
- 15:37, 27 March 2011 (diff | hist) (-1) The VASP Manual (→Output)
- 15:37, 27 March 2011 (diff | hist) (+15) The VASP Manual (→Output)
- 15:36, 27 March 2011 (diff | hist) (+49) The VASP Manual (→Output)
- 15:34, 27 March 2011 (diff | hist) (+155) The VASP Manual (→Output)
- 15:28, 27 March 2011 (diff | hist) (+18) The VASP Manual (→Output)
- 15:22, 27 March 2011 (diff | hist) (+27) The VASP Manual (→Input)
- 15:21, 27 March 2011 (diff | hist) (+26) The VASP Manual (→Input)
- 15:20, 27 March 2011 (diff | hist) (+9) The VASP Manual (→Input)
- 15:20, 27 March 2011 (diff | hist) (-14) The VASP Manual (→Input)
- 15:20, 27 March 2011 (diff | hist) (+32) The VASP Manual (→Input)
- 14:23, 27 March 2011 (diff | hist) (+87) The VASP Manual (→Further reading and additional documentation)
- 14:22, 27 March 2011 (diff | hist) (+45) The VASP Manual
- 14:22, 27 March 2011 (diff | hist) (+52) The VASP Manual
- 14:15, 27 March 2011 (diff | hist) (+10) The VASP Manual (→The VASP workshop)
- 14:14, 27 March 2011 (diff | hist) (+37) The VASP Manual (→Getting started)
- 14:13, 27 March 2011 (diff | hist) (-1,776) The VASP Manual
- 14:12, 27 March 2011 (diff | hist) (+1,848) N VASP workshop 2003 (Created page with '=== Lectures === [http://cms.mpi.univie.ac.at/vasp-workshop/slides/comput_mat.pdf Introduction to Computational Materials] [http://cms.mpi.univie.ac.at/vasp-workshop/slides/dft_…')
- 14:06, 27 March 2011 (diff | hist) (+91) N Category:Files (Created page with 'All VASP input and output files. ---- Contents Files') (current)
- 13:45, 27 March 2011 (diff | hist) (-4) The VASP Manual (→Exercises)
- 13:44, 27 March 2011 (diff | hist) (+657) The VASP Manual (→The VASP workshop)
- 13:31, 27 March 2011 (diff | hist) (+1,001) The VASP Manual (→Lectures)
- 13:23, 27 March 2011 (diff | hist) (+107) The VASP Manual (→Lectures)
- 13:19, 27 March 2011 (diff | hist) (+199) The VASP Manual (→The VASP workshop)
- 13:17, 27 March 2011 (diff | hist) (-2) The VASP Manual (→Getting started)
- 13:15, 27 March 2011 (diff | hist) (+18) CHGCAR
- 13:14, 27 March 2011 (diff | hist) (+18) WAVECAR
- 13:14, 27 March 2011 (diff | hist) (+18) POTCAR
- 13:13, 27 March 2011 (diff | hist) (+18) POSCAR
- 13:13, 27 March 2011 (diff | hist) (+18) INCAR
- 13:12, 27 March 2011 (diff | hist) (+18) KPOINTS
- 13:08, 27 March 2011 (diff | hist) (-86) The VASP Manual (→Howto's)
- 12:35, 27 March 2011 (diff | hist) (+3,915) IBRION (→Some general comments)
- 12:20, 27 March 2011 (diff | hist) (0) IBRION (→{{TAG|IBRION}}=44: the Improved Dimer Method)
- 12:18, 27 March 2011 (diff | hist) (+27) IBRION (→{{TAG|IBRION}}=44)
- 12:16, 27 March 2011 (diff | hist) (-11) IBRION (→{{TAG|IBRION}}=3: ionic relaxation (damped molecular dynamics).)
- 12:15, 27 March 2011 (diff | hist) (-1) IBRION (→{{TAG|IBRION}}=1: ionic relaxation (RMM-DIIS).)
- 12:15, 27 March 2011 (diff | hist) (+2,538) IBRION
- 16:52, 26 March 2011 (diff | hist) (+21) NFREE
- 16:51, 26 March 2011 (diff | hist) (+21) POTIM
- 16:50, 26 March 2011 (diff | hist) (+21) NSW
- 16:50, 26 March 2011 (diff | hist) (+136) N Category:Molecular Dynamics (Created page with 'All tags and articles related to ionic relaxation and molecular dynamics. ---- Contents Dynamics')
- 16:46, 26 March 2011 (diff | hist) (+1) IBRION (→References)
- 16:45, 26 March 2011 (diff | hist) (+105) IBRION (→References)
- 16:24, 26 March 2011 (diff | hist) (+42) IBRION (→{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).)
- 16:22, 26 March 2011 (diff | hist) (+188) IBRION (→References)
- 16:18, 26 March 2011 (diff | hist) (-26) IBRION
- 16:16, 26 March 2011 (diff | hist) (+79) IBRION
- 16:12, 26 March 2011 (diff | hist) (+78) Talk:IBRION (current)
- 16:10, 26 March 2011 (diff | hist) (-2) IBRION (→{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix and phonon frequencies (perturbation theory).)
- 16:07, 26 March 2011 (diff | hist) (+43) IBRION
- 16:03, 26 March 2011 (diff | hist) (+609) IBRION (→{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix and phonon frequencies (perturbation theory).)
- 15:59, 26 March 2011 (diff | hist) (+4,643) IBRION
- 14:29, 26 March 2011 (diff | hist) (+1) IBRION (→References)
- 14:29, 26 March 2011 (diff | hist) (+4) IBRION (→References)
- 14:28, 26 March 2011 (diff | hist) (+1,897) IBRION
- 13:53, 26 March 2011 (diff | hist) (+190) IBRION
- 13:07, 26 March 2011 (diff | hist) (+4) IBRION
- 13:06, 26 March 2011 (diff | hist) (-2) IBRION
- 12:47, 26 March 2011 (diff | hist) (+8) IBRION
- 12:46, 26 March 2011 (diff | hist) (+1) IBRION
- 12:46, 26 March 2011 (diff | hist) (+2,846) IBRION
- 12:33, 26 March 2011 (diff | hist) (+187) N Talk:IBRION (Created page with 'Is this still and issue: "...(or fourth-order predictor-corrector if VASP was linked with stepprecor.o)."? Maybe for vasp.4.X.X, the stepprecor.F file is not part of vasp.5.2.X a…')
- 12:31, 26 March 2011 (diff | hist) (+661) IBRION
- 12:03, 26 March 2011 (diff | hist) (+1,620) N IBRION (Created page with '{{TAGDEF|IBRION|-1 {{!}} 0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 5 {{!}} 6 {{!}} 7 {{!}} 8 {{!}} 44}} {{DEF|IBRION|-1|for {{TAG|NSW}}{{=}}−1 or 0|0|else}} Description: {{TAG|IBRIO…')
- 13:43, 25 March 2011 (diff | hist) (+32) ENAUG
- 13:38, 25 March 2011 (diff | hist) (+191) ENAUG
- 13:27, 25 March 2011 (diff | hist) (+2) ENAUG
- 13:25, 25 March 2011 (diff | hist) (+270) N ENAUG (Created page with '{{TAGDEF|ENAUG|[real]|set in accordance with ENCUT and PREC}} Description: ---- == Related Tags and Sections == {{TAG|NGXF}}, {{TAG|NGYF}}, {{TAG|NGZF}}, {{TAG|E…')
- 13:09, 25 March 2011 (diff | hist) (+6) RWIGS (→Related Tags and Sections)
- 13:08, 25 March 2011 (diff | hist) (-10) RWIGS
- 12:42, 25 March 2011 (diff | hist) (+90) The VASP Manual (→About this manual)
- 12:32, 25 March 2011 (diff | hist) (-4) The VASP Manual (→Howto's)
- 12:29, 25 March 2011 (diff | hist) (-37) INCAR
- 12:25, 25 March 2011 (diff | hist) (+421) INCAR
- 12:09, 25 March 2011 (diff | hist) (+4) Category:INCAR
- 10:09, 21 March 2011 (diff | hist) (-86) EFIELD PEAD
- 10:08, 21 March 2011 (diff | hist) (+1) LCALCPOL
- 18:31, 20 March 2011 (diff | hist) (+4) IPEAD
- 18:09, 20 March 2011 (diff | hist) (+146) IPEAD
- 18:02, 20 March 2011 (diff | hist) (+263) IPEAD
- 17:53, 20 March 2011 (diff | hist) (+24) LPEAD (→Related Tags and Sections)
- 17:52, 20 March 2011 (diff | hist) (-15) IPEAD (→Related Tags and Sections)
- 17:52, 20 March 2011 (diff | hist) (+327) N IPEAD (Created page with '{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: ---- == Related Tags and Sections == {{TAG|LPEAD}}, {{TAG|LCALCEPS}}, {{TAG|EFIELD_PEAD}}, {{TAG|IPEAD}}, [[Berry_phase…')
- 17:45, 20 March 2011 (diff | hist) (+330) LPEAD
- 17:41, 20 March 2011 (diff | hist) (+3) LPEAD
- 17:38, 20 March 2011 (diff | hist) (+2,561) N LPEAD (Created page with '{{TAGDEF|LPEAD|.TRUE. {{!}} .FALSE|.FALSE.}} Description: for {{TAG|LPEAD}}=.TRUE., the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', |∇<sub>'''k'''…')
- 17:11, 20 March 2011 (diff | hist) (-7) LCALCPOL
- 16:58, 20 March 2011 (diff | hist) (-5) LCALCPOL
- 16:57, 20 March 2011 (diff | hist) (+17) LCALCPOL
- 16:55, 20 March 2011 (diff | hist) (+2,051) LCALCPOL
- 16:31, 20 March 2011 (diff | hist) (+48) EFIELD PEAD
- 16:30, 20 March 2011 (diff | hist) (+24) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 16:25, 20 March 2011 (diff | hist) (+25) EFIELD PEAD (→References)
- 16:23, 20 March 2011 (diff | hist) (+963) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 16:18, 20 March 2011 (diff | hist) (+235) EFIELD PEAD
- 16:15, 20 March 2011 (diff | hist) (+149) EFIELD PEAD
- 16:05, 20 March 2011 (diff | hist) (+9,505) EFIELD PEAD
- 15:20, 20 March 2011 (diff | hist) (+264) EFIELD PEAD
- 12:16, 20 March 2011 (diff | hist) (+177) N EFIELD PEAD (Created page with '{{TAGDEF|EFIELD_PEAD|[real array]}} {{DEF|EFIELD_PEAD|3*0.01|if {{TAG|LCALCEPS}}{{=}}.TRUE.|3*0.0|else}} Description: ---- ---- Contents Category:INCAR')
- 11:40, 20 March 2011 (diff | hist) (+5) LCALCEPS
- 11:36, 20 March 2011 (diff | hist) (+448) LCALCEPS
- 17:40, 19 March 2011 (diff | hist) (+1,030) LCALCEPS
- 16:12, 19 March 2011 (diff | hist) (+285) LCALCEPS
- 14:18, 19 March 2011 (diff | hist) (+585) LCALCEPS
- 13:00, 19 March 2011 (diff | hist) (-1) LCALCEPS
- 13:00, 19 March 2011 (diff | hist) (+1) LCALCEPS
- 12:59, 19 March 2011 (diff | hist) (+1) LCALCEPS
- 12:59, 19 March 2011 (diff | hist) (+966) LCALCEPS
- 12:50, 19 March 2011 (diff | hist) (+639) N LCALCEPS (Created page with '{{TAGDEF|LCALCEPS|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: for {{TAG|LCALCEPS}}=.TRUE. the macroscopic ion-clamped static dielectric tensor, Born effective charge tensors, an…')
- 11:46, 19 March 2011 (diff | hist) (-14) LCALCPOL
- 11:46, 19 March 2011 (diff | hist) (+14) LCALCPOL
- 11:29, 19 March 2011 (diff | hist) (0) LCALCPOL (→Related Tags and Sections)
- 11:29, 19 March 2011 (diff | hist) (+263) LCALCPOL
- 11:25, 19 March 2011 (diff | hist) (+263) LCALCPOL
- 11:22, 19 March 2011 (diff | hist) (-3) LCALCPOL
- 11:22, 19 March 2011 (diff | hist) (+13) LCALCPOL
- 11:21, 19 March 2011 (diff | hist) (+401) N LCALCPOL (Created page with '{{TAGDEF|LCALCPOL|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LCALCPOL}}=.TRUE. switches on the evaluation of the Berry phase expressions for the macroscopic electronic p…')
- 10:21, 14 March 2011 (diff | hist) (+1) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 10:21, 14 March 2011 (diff | hist) (-1) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 10:20, 14 March 2011 (diff | hist) (+47) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 17:02, 12 March 2011 (diff | hist) (+526) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 16:45, 12 March 2011 (diff | hist) (+1) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 16:36, 12 March 2011 (diff | hist) (-144) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 14:51, 11 March 2011 (diff | hist) (+1) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 14:49, 11 March 2011 (diff | hist) (+16) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 14:48, 11 March 2011 (diff | hist) (+102) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 14:46, 11 March 2011 (diff | hist) (+2) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 14:43, 11 March 2011 (diff | hist) (+348) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 14:35, 11 March 2011 (diff | hist) (+527) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 12:42, 11 March 2011 (diff | hist) (+20) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 12:32, 11 March 2011 (diff | hist) (+2) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 12:17, 11 March 2011 (diff | hist) (+816) Berry phases and finite electric fields
- 13:13, 10 March 2011 (diff | hist) (+45) Berry phases and finite electric fields (→References)
- 13:08, 10 March 2011 (diff | hist) (-146) Berry phases and finite electric fields (→References)
- 11:45, 9 March 2011 (diff | hist) (+1) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 11:45, 9 March 2011 (diff | hist) (+1) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 11:45, 9 March 2011 (diff | hist) (+1) Berry phases and finite electric fields (→References)
- 11:45, 9 March 2011 (diff | hist) (+57) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 11:44, 9 March 2011 (diff | hist) (+109) Berry phases and finite electric fields (→References)
- 11:42, 9 March 2011 (diff | hist) (-4) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 11:14, 9 March 2011 (diff | hist) (+389) Berry phases and finite electric fields
- 10:44, 9 March 2011 (diff | hist) (+1,599) Berry phases and finite electric fields (→Self-consistent response to finite electric fields)
- 10:01, 9 March 2011 (diff | hist) (+111) Talk:GW recipes (current)
- 09:59, 9 March 2011 (diff | hist) (0) Berry phases and finite electric fields (→Related Tags and Sections)
- 09:58, 9 March 2011 (diff | hist) (+195) Berry phases and finite electric fields
- 18:49, 8 March 2011 (diff | hist) (+5) Berry phases and finite electric fields (→Computational aspects)
- 18:48, 8 March 2011 (diff | hist) (+131) Berry phases and finite electric fields (→Computational aspects)
- 18:45, 8 March 2011 (diff | hist) (+138) Berry phases and finite electric fields (→Computational aspects)
- 18:32, 8 March 2011 (diff | hist) (+1) Berry phases and finite electric fields
- 18:19, 8 March 2011 (diff | hist) (+593) Berry phases and finite electric fields
- 17:24, 7 March 2011 (diff | hist) (+15) Practical guide to GW calculations (→Recipes)
- 17:21, 7 March 2011 (diff | hist) (+16) Practical guide to GW calculations (→Recipes)
- 17:18, 7 March 2011 (diff | hist) (+13) Practical guide to GW calculations (→Recipes)
- 17:17, 7 March 2011 (diff | hist) (+15) Practical guide to GW calculations (→Recipes)
- 17:17, 7 March 2011 (diff | hist) (0) Practical guide to GW calculations (→Recipes)
- 17:15, 7 March 2011 (diff | hist) (-108) Practical guide to GW calculations (→Recipes)
- 17:15, 7 March 2011 (diff | hist) (+98) Practical guide to GW calculations (→Recipes)
- 15:41, 7 March 2011 (diff | hist) (0) Berry phases and finite electric fields (→References)
- 11:12, 7 March 2011 (diff | hist) (+225) LMAXFOCKAE
- 11:02, 7 March 2011 (diff | hist) (-8) LMAXFOCKAE
- 16:22, 6 March 2011 (diff | hist) (-1,509) Berry phases and finite electric fields
- 16:09, 6 March 2011 (diff | hist) (+143) Berry phases and finite electric fields
- 15:39, 6 March 2011 (diff | hist) (+6,380) Berry phases and finite electric fields
- 15:02, 6 March 2011 (diff | hist) (+31) Berry phases and finite electric fields
- 15:02, 6 March 2011 (diff | hist) (+38) Berry phases and finite electric fields
- 14:58, 6 March 2011 (diff | hist) (+77) Berry phases and finite electric fields
- 14:35, 6 March 2011 (diff | hist) (+5,612) Berry phases and finite electric fields
- 14:01, 6 March 2011 (diff | hist) (+1,006) Berry phases and finite electric fields (→Berry phase expression for the macroscopic polarization)
- 11:03, 6 March 2011 (diff | hist) (+8) Berry phases and finite electric fields (→Finite electric fields (the PEAD approach))
- 10:41, 6 March 2011 (diff | hist) (+20) Berry phases and finite electric fields (→Finite electric fields)
- 18:53, 3 March 2011 (diff | hist) (+93) Berry phases and finite electric fields
- 18:45, 3 March 2011 (diff | hist) (+171) N Category:Berry phases (Created page with 'All tags and articles that deal with Berry phase calculations and the PEAD are members of this category. ---- Contents Berry phases')
- 18:42, 3 March 2011 (diff | hist) (+198) Berry phases and finite electric fields
- 18:39, 3 March 2011 (diff | hist) (+78) N Berry phases and finite electric fields (Created page with '---- Contents Category:INCARCategory:Berry phases')
- 18:17, 3 March 2011 (diff | hist) (+115) Talk:Main Page (current)
- 18:11, 3 March 2011 (diff | hist) (-1) Hartree-Fock and HF/DFT hybrid functionals (→Fock exchange)
- 12:43, 3 March 2011 (diff | hist) (+27) Talk:Main Page
- 17:45, 2 March 2011 (diff | hist) (+214) N Talk:Main Page (Created page with 'We should install the following extensions: * Extension:Collection : allows users to create their own collections of pages (that may be exported as pdf) and maybe * Extension…')
- 15:07, 2 March 2011 (diff | hist) (+4) LDAUTYPE
- 13:56, 2 March 2011 (diff | hist) (0) LDAUTYPE
- 13:55, 2 March 2011 (diff | hist) (+632) LDAUTYPE
- 13:53, 2 March 2011 (diff | hist) (+32) LDAU
- 13:53, 2 March 2011 (diff | hist) (0) LDAU
- 13:53, 2 March 2011 (diff | hist) (+600) LDAU
- 13:42, 2 March 2011 (diff | hist) (+400) LDAUTYPE
- 13:42, 2 March 2011 (diff | hist) (+400) LDAUU
- 13:42, 2 March 2011 (diff | hist) (+400) LDAUJ
- 13:37, 2 March 2011 (diff | hist) (0) LEPSILON
- 12:42, 2 March 2011 (diff | hist) (+511) N LDAUPRINT (Created page with '{{TAGDEF|LDAUPRINT|0 {{!}} 1 {{!}} 2|0}} Description: {{TAG|LDAUPRINT}} controls the verbosity of the L(S)DA+U routines. ---- *{{TAG|LDAUPRINT}}=0: silent. *{{TAG|LDAUPRINT}}=1:…')
- 12:15, 2 March 2011 (diff | hist) (+398) N LDAUJ (Created page with '{{TAGDEF|LDAUJ|[real array]|NTYP*0.0}} Description: {{TAG|LDAUJ}} specifies the strength of the effective on-site exchange interactions. ---- '''Mind''': one ''has'' to specify …')
- 12:14, 2 March 2011 (diff | hist) (+397) N LDAUU (Created page with '{{TAGDEF|LDAUU|[real array]|NTYP*0.0}} Description: {{TAG|LDAUU}} specifies the strength of the effective on-site Coulomb interactions. ---- '''Mind''': one ''has'' to specify o…')
- 12:06, 2 March 2011 (diff | hist) (+462) N LDAUL (Created page with '{{TAGDEF|LDAUL|[integer array]|NTYP*2}} Description: {{TAG|LDAUL}} specifies the ''l''-quantum number for which the on-site interaction is added. ---- For {{TAG|LDAUL}}=-1 no on…')
- 11:52, 2 March 2011 (diff | hist) (0) LDAUTYPE
- 11:51, 2 March 2011 (diff | hist) (+495) LDAUTYPE
- 11:11, 2 March 2011 (diff | hist) (-1) LDAUTYPE
- 20:50, 1 March 2011 (diff | hist) (0) LDAUTYPE
- 20:49, 1 March 2011 (diff | hist) (+37) LDAUTYPE
- 20:47, 1 March 2011 (diff | hist) (+44) LDAUTYPE
- 20:43, 1 March 2011 (diff | hist) (-1) LDAUTYPE
- 20:42, 1 March 2011 (diff | hist) (-2) LDAUTYPE
- 20:40, 1 March 2011 (diff | hist) (+1,086) LDAUTYPE
- 20:26, 1 March 2011 (diff | hist) (-1) LDAUTYPE
- 20:18, 1 March 2011 (diff | hist) (+95) N Category:LSDA+U (Created page with 'L(S)DA+U related tags and articles. ---- Contents LDA+U')
- 20:17, 1 March 2011 (diff | hist) (+4) LDAUTYPE
- 20:15, 1 March 2011 (diff | hist) (+2,922) LDAUTYPE
- 19:31, 1 March 2011 (diff | hist) (-4) LDAUTYPE (→References)
- 19:31, 1 March 2011 (diff | hist) (+1,115) N LDAUTYPE (Created page with '{{TAGDEF|LDAUTYPE|1 {{!}} 2 {{!}} 4|2}} Description: {{TAG|LDAUTYPE}} specifies which type of L(S)DA+U approach will be used. ---- *{{TAG|LDAUTYPE}}=1: The rotationally invarian…')
- 19:19, 1 March 2011 (diff | hist) (+294) N LDAU (Created page with '{{TAGDEF|LDAU|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LDAU}}=.TRUE. switches on the L(S)DA+U. ---- == Related Tags and Sections == {{TAG|LDAUTYPE}}, {{TAG|LDAUL}}, {{T…')
- 15:35, 1 March 2011 (diff | hist) (+90) N Category:Howto (Created page with 'All Howto's will show up here. ---- Contents Howto') (current)
- 14:47, 28 February 2011 (diff | hist) (-13) NOMEGAR
- 14:47, 28 February 2011 (diff | hist) (-13) NOMEGA
- 14:47, 28 February 2011 (diff | hist) (-13) LSPECTRAL
- 14:46, 28 February 2011 (diff | hist) (+113) N Category:GW (Created page with 'Tags and articles that deal with the GW routines in VASP. ---- Contents GW')
- 14:45, 28 February 2011 (diff | hist) (-13) Practical guide to GW calculations
- 14:45, 28 February 2011 (diff | hist) (-3) The VASP Manual (→Howto's)
- 14:45, 28 February 2011 (diff | hist) (0) m Talk:Practical guide to GW calculations (moved Talk:GW to Talk:GW calculations)
- 14:45, 28 February 2011 (diff | hist) (+34) N Talk:GW (moved Talk:GW to Talk:GW calculations) (current)
- 14:45, 28 February 2011 (diff | hist) (0) m Practical guide to GW calculations (moved GW to GW calculations)
- 12:28, 28 February 2011 (diff | hist) (-20) The VASP Manual (→Howto's)
- 12:27, 28 February 2011 (diff | hist) (+1) Practical guide to GW calculations
- 12:23, 28 February 2011 (diff | hist) (+215) Talk:Practical guide to GW calculations
- 12:17, 28 February 2011 (diff | hist) (+16) Practical guide to GW calculations
- 12:00, 28 February 2011 (diff | hist) (-51) Practical guide to GW calculations
- 11:45, 28 February 2011 (diff | hist) (-2) The VASP Manual (→Howto's)
- 11:44, 28 February 2011 (diff | hist) (0) m Talk:Practical guide to GW calculations (moved Talk:Frequency dependent GW calculations to Talk:GW over redirect: revert)
- 11:44, 28 February 2011 (diff | hist) (0) m Practical guide to GW calculations (moved Frequency dependent GW calculations to GW over redirect: revert)
- 12:22, 19 February 2011 (diff | hist) (+1) LOPTICS
- 15:29, 18 February 2011 (diff | hist) (+18) LEPSILON
- 15:25, 18 February 2011 (diff | hist) (+1,272) N LRPA (Created page with '{{TAGDEF|LRPA|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LRPA}}=.TRUE. includes local field effect on the Hartree level only. ---- For {{TAG|LRPA}}=.TRUE. local field eff…')
- 15:15, 18 February 2011 (diff | hist) (+140) N Category:Linear response (Created page with 'Tags and articles that deal with the linear response routines in VASP. ---- Contents Linear response')
- 15:11, 18 February 2011 (diff | hist) (+17) CSHIFT (→Related Tags and Sections)
- 15:11, 18 February 2011 (diff | hist) (+1,567) N LNABLA (Created page with '{{TAGDEF|LNABLA|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LNABLA}}=.TRUE. evaluates the transversal expression for the frequency dependent dielectric matrix. ---- Usuall…')
- 15:05, 18 February 2011 (diff | hist) (+28) LOPTICS
- 14:38, 18 February 2011 (diff | hist) (+475) CSHIFT
- 14:36, 18 February 2011 (diff | hist) (+33) LOPTICS
- 14:36, 18 February 2011 (diff | hist) (+293) N CSHIFT (Created page with '{{TAGDEF|CSHIFT|[real]|0.1}} Description: {{TAG|CSHIFT}} sets the (small) complex shift η in the Kramers-Kronig transformation. ---- == Related Tag…')
- 14:31, 18 February 2011 (diff | hist) (+4) LOPTICS (→Related Tags and Sections)
- 14:31, 18 February 2011 (diff | hist) (+12) LOPTICS (→Related Tags and Sections)
- 14:29, 18 February 2011 (diff | hist) (-4) LOPTICS
- 14:23, 18 February 2011 (diff | hist) (+75) N Talk:LOPTICS (Created page with 'Around the point where "GW" is mentioned we should link to future GW pages.') (current)
- 14:22, 18 February 2011 (diff | hist) (+8) LOPTICS
- 14:20, 18 February 2011 (diff | hist) (+2) LOPTICS
- 14:20, 18 February 2011 (diff | hist) (+2,898) N LOPTICS (Created page with '{{TAGDEF|LOPTICS|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LOPTICS}}=.TRUE. calculates the frequency dependent dielectric matrix after the electronic ground state has be…')
- 15:32, 17 February 2011 (diff | hist) (+29) IALGO (→Miscellaneous)
- 15:18, 17 February 2011 (diff | hist) (+1,926) LEPSILON
- 15:02, 17 February 2011 (diff | hist) (+1,469) LEPSILON
- 14:50, 17 February 2011 (diff | hist) (+2,210) N LEPSILON (Created page with '{{TAGDEF|LEPSILON|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LEPSILON}}=.TRUE. determines the static dielectric matrix, ion-clamped piezoelectric tensor and the Born effe…')
- 10:20, 17 February 2011 (diff | hist) (-6) I CONSTRAINED M
- 17:38, 16 February 2011 (diff | hist) (+1) M CONSTR
- 17:37, 16 February 2011 (diff | hist) (+58) M CONSTR
- 17:36, 16 February 2011 (diff | hist) (+110) M CONSTR
- 17:33, 16 February 2011 (diff | hist) (0) M CONSTR
- 17:33, 16 February 2011 (diff | hist) (+28) M CONSTR
- 17:29, 16 February 2011 (diff | hist) (+639) M CONSTR
- 17:06, 16 February 2011 (diff | hist) (+7) M CONSTR
- 17:05, 16 February 2011 (diff | hist) (+98) M CONSTR
- 17:04, 16 February 2011 (diff | hist) (+513) N LAMBDA (Created page with '{{TAGDEF|LAMBDA|[real]|0}} Description: {{TAG|LAMBDA}} sets the weight with which the penalty terms of the constrained local moment approach enter into the total energy expressi…')
- 16:59, 16 February 2011 (diff | hist) (+311) N M CONSTR (Created page with '{{TAGDEF|M_CONSTR|[real array]|none}} Description: {{TAG|M_CONSTR}} specifies the ---- == Related Tags and Sections == {{TAG|I_CONSTRAINED_M}}, {{TAG|LAMBDA}}, {{TAG|RWIGS}}, {…')
- 16:47, 16 February 2011 (diff | hist) (-1) I CONSTRAINED M
- 16:46, 16 February 2011 (diff | hist) (+625) I CONSTRAINED M
- 16:44, 16 February 2011 (diff | hist) (+1,972) I CONSTRAINED M
- 16:35, 16 February 2011 (diff | hist) (+168) I CONSTRAINED M
- 16:32, 16 February 2011 (diff | hist) (+505) I CONSTRAINED M
- 16:26, 16 February 2011 (diff | hist) (+1,738) I CONSTRAINED M
- 16:05, 16 February 2011 (diff | hist) (+52) I CONSTRAINED M
- 16:00, 16 February 2011 (diff | hist) (+300) N I CONSTRAINED M (Created page with '{{TAGDEF|I_CONSTRAINED_M|1 {{!}} 2|none}} Description: {{TAG|I_CONSTRAINED_M}} ---- == Related Tags and Sections == {{TAG|M_CONSTR}}, {{TAG|LAMBDA}}, {{TAG|RWIGS}}, {{TAG|LNONCO…')
- 15:25, 16 February 2011 (diff | hist) (+8) RWIGS
- 11:35, 16 February 2011 (diff | hist) (-92) Talk:EVENONLY (Blanked the page) (current)
- 11:34, 16 February 2011 (diff | hist) (+92) N Talk:EVENONLY (Created page with 'This tag does not seem to exist in VASP (I checked). There is a tag EVENONLYGW, however ....')
- 11:33, 16 February 2011 (diff | hist) (+1,867) N ODDONLY (Created page with '{{TAGDEF|ODDONLY|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|ODDONLY}}=.TRUE. selects a subset of '''k'''-points for the representation of the Fock exchange potential, wit…')
- 11:29, 16 February 2011 (diff | hist) (-15) NKREDZ
- 11:28, 16 February 2011 (diff | hist) (-15) NKREDY
- 11:28, 16 February 2011 (diff | hist) (-15) NKREDX
- 11:27, 16 February 2011 (diff | hist) (-14) NKRED
- 11:20, 16 February 2011 (diff | hist) (+6) EVENONLY
- 11:20, 16 February 2011 (diff | hist) (+1,865) N EVENONLY (Created page with '{{TAGDEF|EVENONLY|.TRUE.|.FALSE.|.FALSE.}} Description: {{TAG|EVENONLY}}=.TRUE. selects a subset of '''k'''-points for the representation of the Fock exchange potential, with ''…')
- 20:48, 15 February 2011 (diff | hist) (+1,916) Hartree-Fock and HF/DFT hybrid functionals
- 19:49, 15 February 2011 (diff | hist) (-2) LSORBIT
- 19:49, 15 February 2011 (diff | hist) (+147) Talk:LSORBIT (current)
- 19:46, 15 February 2011 (diff | hist) (-1,126) LSORBIT
- 18:45, 15 February 2011 (diff | hist) (-4) LSORBIT
- 18:44, 15 February 2011 (diff | hist) (+9) LSORBIT
- 18:44, 15 February 2011 (diff | hist) (+1) LSORBIT
- 18:42, 15 February 2011 (diff | hist) (-101) LSORBIT
- 18:00, 15 February 2011 (diff | hist) (-2) LSORBIT
- 17:57, 15 February 2011 (diff | hist) (+22) LSORBIT
- 17:56, 15 February 2011 (diff | hist) (+5) N Talk:LSORBIT (Created page with 'Cool!')
- 17:47, 15 February 2011 (diff | hist) (-38) Hartree-Fock and HF/DFT hybrid functionals (→Caveat: when one should not use downsampling)
- 17:40, 15 February 2011 (diff | hist) (+2,253) Hartree-Fock and HF/DFT hybrid functionals (→Caveat: when one should not use downsampling)
- 17:23, 15 February 2011 (diff | hist) (+4,033) Hartree-Fock and HF/DFT hybrid functionals (→Caveat: when one should not use downsampling)
- 17:01, 15 February 2011 (diff | hist) (+92) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 16:59, 15 February 2011 (diff | hist) (+180) NKREDZ
- 16:59, 15 February 2011 (diff | hist) (+180) NKREDY
- 16:59, 15 February 2011 (diff | hist) (+180) NKREDX
- 16:59, 15 February 2011 (diff | hist) (+39) NKRED
- 16:58, 15 February 2011 (diff | hist) (-2) NKRED
- 16:56, 15 February 2011 (diff | hist) (-6) NKRED
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- 16:44, 15 February 2011 (diff | hist) (+1,826) N NKREDZ (Created page with '{{TAGDEF|NKREDZ|[integer]|1}} Description: {{TAG|NKREDZ}} specifies a reduction factor for the '''q'''-point grid representation of the exact exchange potential along reciprocal…')
- 16:44, 15 February 2011 (diff | hist) (0) NKREDY
- 16:44, 15 February 2011 (diff | hist) (+1,826) N NKREDY (Created page with '{{TAGDEF|NKREDY|[integer]|1}} Description: {{TAG|NKREDY}} specifies a reduction factor for the '''q'''-point grid representation of the exact exchange potential along reciprocal…')
- 16:43, 15 February 2011 (diff | hist) (-1) NKREDX (→Related Tags and Sections)
- 16:42, 15 February 2011 (diff | hist) (+57) NKRED
- 16:42, 15 February 2011 (diff | hist) (+57) NKREDX
- 16:40, 15 February 2011 (diff | hist) (0) NKREDX
- 16:40, 15 February 2011 (diff | hist) (+1,770) N NKREDX (Created page with '{{TAGDEF|NKREDX|[integer]|1}} Description: {{TAG|NKREXD}} specifies a reduction factor for the '''q'''-point grid representation of the exact exchange potential along reciprocal…')
- 16:34, 15 February 2011 (diff | hist) (+8) LNONCOLLINEAR
- 16:32, 15 February 2011 (diff | hist) (+464) NKRED
- 16:23, 15 February 2011 (diff | hist) (+775) NKRED
- 16:12, 15 February 2011 (diff | hist) (+484) N NKRED (Created page with '{{TAGDEF|NKRED|[integer]|1}} Description: {{TAG|NKRED}} specifies an uniform reduction factor for the '''q'''-point grid representation of the exact exchange potential. ---- == …')
- 16:06, 15 February 2011 (diff | hist) (+32) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 15:56, 15 February 2011 (diff | hist) (0) Hartree-Fock and HF/DFT hybrid functionals (→References)
- 15:55, 15 February 2011 (diff | hist) (+38) Hartree-Fock and HF/DFT hybrid functionals (→References)
- 15:54, 15 February 2011 (diff | hist) (+26) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 15:53, 15 February 2011 (diff | hist) (+142) Hartree-Fock and HF/DFT hybrid functionals (→References)
- 15:50, 15 February 2011 (diff | hist) (+402) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 15:41, 15 February 2011 (diff | hist) (+67) Hartree-Fock and HF/DFT hybrid functionals
- 15:32, 15 February 2011 (diff | hist) (+29) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 15:31, 15 February 2011 (diff | hist) (+946) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 15:28, 15 February 2011 (diff | hist) (+783) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 15:18, 15 February 2011 (diff | hist) (+52) Hartree-Fock and HF/DFT hybrid functionals
- 15:10, 15 February 2011 (diff | hist) (+1,882) Hartree-Fock and HF/DFT hybrid functionals (→Downsampling)
- 14:31, 15 February 2011 (diff | hist) (-13) Hartree-Fock and HF/DFT hybrid functionals (→Thomas-Fermi screening)
- 14:31, 15 February 2011 (diff | hist) (+911) LTHOMAS
- 14:21, 15 February 2011 (diff | hist) (+10) Hartree-Fock and HF/DFT hybrid functionals
- 14:00, 15 February 2011 (diff | hist) (+17) HFSCREEN (→Related Tags and Sections)
- 13:59, 15 February 2011 (diff | hist) (+113) LTHOMAS
- 13:55, 15 February 2011 (diff | hist) (-15) LTHOMAS
- 13:54, 15 February 2011 (diff | hist) (+32) Hartree-Fock and HF/DFT hybrid functionals
- 13:53, 15 February 2011 (diff | hist) (+1) Hartree-Fock and HF/DFT hybrid functionals
- 13:53, 15 February 2011 (diff | hist) (-1) Hartree-Fock and HF/DFT hybrid functionals
- 13:52, 15 February 2011 (diff | hist) (+462) N LTHOMAS (Created page with '{{TAGDEF|LTHOMAS|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LTHOMAS}} ---- == Related Tags and Sections == {{TAG|LHFCALC}}, {{TAG|HFSCREEN}}, [[Hartree-Fock_and_HF/DFT_hy…')
- 13:52, 15 February 2011 (diff | hist) (+35) Hartree-Fock and HF/DFT hybrid functionals
- 13:43, 15 February 2011 (diff | hist) (+14) PRECFOCK (→Related Tags and Sections)
- 13:43, 15 February 2011 (diff | hist) (+1,689) PRECFOCK
- 13:37, 15 February 2011 (diff | hist) (+194) PRECFOCK
- 13:35, 15 February 2011 (diff | hist) (+508) PRECFOCK
- 13:29, 15 February 2011 (diff | hist) (-55) PRECFOCK
- 13:22, 15 February 2011 (diff | hist) (+493) PRECFOCK
- 13:05, 15 February 2011 (diff | hist) (+615) PRECFOCK
- 12:33, 15 February 2011 (diff | hist) (+39) PRECFOCK
- 12:29, 15 February 2011 (diff | hist) (+59) PRECFOCK
- 12:15, 15 February 2011 (diff | hist) (+15) PRECFOCK (→Related Tags and Sections)
- 12:14, 15 February 2011 (diff | hist) (+364) N PRECFOCK (Created page with '{{TAGDEF|PRECFOCK|Low {{!}} Medium {{!}} Fast {{!}} Normal {{!}} Accurate|Normal}} Description: {{TAG|PRECFOCK}} ---- == Related Tags and Sections == [[Hartree-Fock_and_HF/DFT_h…')
- 12:09, 15 February 2011 (diff | hist) (0) PREC (→Related Tags and Sections)
- 12:08, 15 February 2011 (diff | hist) (+18) PREC (→Related Tags and Sections)
- 11:59, 15 February 2011 (diff | hist) (-11) Hartree-Fock and HF/DFT hybrid functionals (→PBE0)
- 11:58, 15 February 2011 (diff | hist) (+38) Hartree-Fock and HF/DFT hybrid functionals (→B3LYP)
- 11:58, 15 February 2011 (diff | hist) (+6) Hartree-Fock and HF/DFT hybrid functionals (→PBE0)
- 11:57, 15 February 2011 (diff | hist) (+167) Hartree-Fock and HF/DFT hybrid functionals (→PBE0)
- 11:52, 15 February 2011 (diff | hist) (-14) Hartree-Fock and HF/DFT hybrid functionals (→B3LYP)
- 11:51, 15 February 2011 (diff | hist) (+647) Hartree-Fock and HF/DFT hybrid functionals (→B3LYP)
- 11:31, 15 February 2011 (diff | hist) (+98) Hartree-Fock and HF/DFT hybrid functionals (→B3LYP)
- 11:25, 15 February 2011 (diff | hist) (+37) Hartree-Fock and HF/DFT hybrid functionals (→PBE0)
- 11:24, 15 February 2011 (diff | hist) (+1) Hartree-Fock and HF/DFT hybrid functionals (→PBE0)
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