User contributions for Mmars

15:0915:09, 12 February 2011 diff hist −279‎ PREC ‎No edit summary
15:0815:08, 12 February 2011 diff hist +55‎ Vaspwiki standards ‎No edit summary
15:0015:00, 12 February 2011 diff hist +619‎ Vaspwiki standards ‎No edit summary
13:4113:41, 12 February 2011 diff hist +34‎ PREC ‎No edit summary
13:3713:37, 12 February 2011 diff hist +1,334‎ PREC ‎No edit summary
12:4112:41, 12 February 2011 diff hist +1,677‎ N NGZF ‎ Created page with '{{TAGDEF|NGZF|[integer]|set in accordance with {{TAG|PREC}}, {{TAG|NGZ}}, {{TAG|ENCUT}} and {{TAG|ENAUG}}}} Description: {{TAG|NGZF}} sets the number of grid points in the "fine…'
12:3912:39, 12 February 2011 diff hist +1,678‎ N NGYF ‎ Created page with '{{TAGDEF|NGYF|[integer]|set in accordance with {{TAG|PREC}}, {{TAG|NGY}}, {{TAG|ENCUT}} and {{TAG|ENAUG}}}} Description: {{TAG|NGYF}} sets the number of grid points in the "fine…'
12:3712:37, 12 February 2011 diff hist +426‎ NGZ ‎No edit summary
12:3712:37, 12 February 2011 diff hist +426‎ NGY ‎No edit summary
12:3612:36, 12 February 2011 diff hist −1‎ NGX ‎No edit summary
12:3512:35, 12 February 2011 diff hist +427‎ NGX ‎No edit summary
12:3212:32, 12 February 2011 diff hist +1,677‎ N NGXF ‎ Created page with '{{TAGDEF|NGXF|[integer]|set in accordance with {{TAG|PREC}}, {{TAG|NGX}}, {{TAG|ENCUT}} and {{TAG|ENAUG}}}} Description: {{TAG|NGXF}} sets the number of grid points in the "fine…'
11:4711:47, 12 February 2011 diff hist +38‎ POTIM ‎No edit summary

16:2416:24, 11 February 2011 diff hist 0‎ NFREE ‎No edit summary
16:2316:23, 11 February 2011 diff hist +30‎ NFREE ‎No edit summary
16:1516:15, 11 February 2011 diff hist +639‎ N NGZ ‎ Created page with '{{TAGDEF|NGZ|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}} Description: {{TAG|NGZ}} sets the number of grid points in the FFT-grid along the third lattice ve…'
16:1416:14, 11 February 2011 diff hist +640‎ N NGY ‎ Created page with '{{TAGDEF|NGY|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}} Description: {{TAG|NGY}} sets the number of grid points in the FFT-grid along the second lattice v…'
16:1016:10, 11 February 2011 diff hist +160‎ NGX ‎No edit summary
16:0816:08, 11 February 2011 diff hist +242‎ NGX ‎No edit summary
16:0516:05, 11 February 2011 diff hist +237‎ N NGX ‎ Created page with '{{TAGDEF|NGX|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}} Description: {{TAG|NGX}} sets the number of grid points in the FFT-grid along the first lattice ve…'
15:2515:25, 11 February 2011 diff hist −1‎ MAGMOM ‎No edit summary
15:2415:24, 11 February 2011 diff hist −1‎ SPRING ‎No edit summary
15:2215:22, 11 February 2011 diff hist +4‎ SPRING ‎ →‎Related Tags and Sections
15:2115:21, 11 February 2011 diff hist 0‎ SPRING ‎ →‎References
15:2015:20, 11 February 2011 diff hist +52‎ SPRING ‎ →‎References
15:1915:19, 11 February 2011 diff hist +6‎ SPRING ‎No edit summary
15:0815:08, 11 February 2011 diff hist −13‎ LWAVE ‎No edit summary
15:0715:07, 11 February 2011 diff hist −13‎ LCHARG ‎No edit summary

16:1716:17, 10 February 2011 diff hist +9‎ NBLOCK ‎No edit summary
15:2215:22, 10 February 2011 diff hist +3‎ MAGMOM ‎No edit summary
14:5314:53, 10 February 2011 diff hist +1,085‎ BMIX MAG ‎No edit summary
14:5114:51, 10 February 2011 diff hist +1,256‎ AMIX MAG ‎No edit summary
12:1912:19, 10 February 2011 diff hist +650‎ N BMIX MAG ‎ Created page with '{{TAGDEF|BMIX_MAG|[real]|1.0}} Description: {{TAG|BMIX_MAG}} sets the cutoff wave vector for Kerker mixing scheme<ref name="kerker:prb:81"/> ({{TAG|IMIX}}=1 and/or {{TAG|INIMIX}…'
12:1612:16, 10 February 2011 diff hist +382‎ N AMIX MAG ‎ Created page with '{{TAGDEF|AMIX_MAG|[real]|1.6}} Description: {{TAG|AMIX_MAG}} linear mixing parameter for the magnetization density. ---- == Related Tags and Sections == {{TAG|IMIX}}, {{TAG|INI…'

16:4916:49, 9 February 2011 diff hist +983‎ BMIX ‎No edit summary
16:4816:48, 9 February 2011 diff hist +151‎ N Talk:AMIX ‎ Created page with '... either AMIX or BMIX can be optimized ... I think the either/or is wrong, isn't it possible to optimize the Kerker mixer w.r.t. both AMIX and BMIX?' current
16:4616:46, 9 February 2011 diff hist +983‎ AMIX ‎No edit summary
15:3615:36, 9 February 2011 diff hist +52‎ N Talk:MAXMIX ‎ Created page with 'We might really chuck out references to VASP.3.X :-)' current
15:3515:35, 9 February 2011 diff hist +2,401‎ N MAXMIX ‎ Created page with '{{TAGDEF|MAXMIX|[integer]|-45}} Description: {{TAG|MAXMIX}} specifies the maximum number steps stored in Broyden mixer ({{TAG|IMIX}}=4). ---- {{TAG|MAXMIX}} specifies the maximu…'

16:4216:42, 8 February 2011 diff hist +1,084‎ AMIN ‎No edit summary
16:3216:32, 8 February 2011 diff hist −28‎ AMIN ‎No edit summary
16:3016:30, 8 February 2011 diff hist +363‎ N AMIN ‎ Created page with '{{TAGDEF|AMIN|[real]}} {{DEF|AMIN|0.4|if {{TAG|ISPIN}}{{=}}1|0.1|if {{TAG|ISPIN}}{{=}}2}} Description: {{TAG|AMIN}} ---- == Related Tags and Sections == {{TAG|IMIX}}, {{TAG|INIM…'
16:2416:24, 8 February 2011 diff hist +342‎ IMIX ‎No edit summary
16:1516:15, 8 February 2011 diff hist +306‎ MIXPRE ‎No edit summary
16:1416:14, 8 February 2011 diff hist +1,022‎ N WC ‎ Created page with '{{TAGDEF|WC|[real]|1000.}} Description: {{TAG|WC}} specifies the weight factor for each step in Broyden mixing scheme ({{TAG|IMIX}}=4). ---- *{{TAG|WC}}>0 :Set all weights ident…'
15:3115:31, 8 February 2011 diff hist +698‎ MIXPRE ‎No edit summary
15:2615:26, 8 February 2011 diff hist +386‎ N MIXPRE ‎ Created page with '{{TAGDEF|MIXPRE|0 {{!}} 1 {{!}} 2 {{!}} 3|1}} Description: {{TAG|MIXPRE}} specifies the metric in the Broyden mixing scheme({{TAG|IMIX}}=4). ---- == Related Tags and Sections ==…'
15:2415:24, 8 February 2011 diff hist +53‎ Category:Magnetism ‎No edit summary
15:1715:17, 8 February 2011 diff hist +90‎ Talk:ISPIN ‎No edit summary current
15:0715:07, 8 February 2011 diff hist +100‎ N Category:Magnetism ‎ Created page with 'Tags and articles that deal with magnetism: spin-polarized calculations and non-collinear magnetism.'
14:5314:53, 8 February 2011 diff hist +1‎ INIMIX ‎No edit summary
14:5314:53, 8 February 2011 diff hist −1‎ BMIX ‎No edit summary
14:5314:53, 8 February 2011 diff hist +259‎ BMIX ‎No edit summary
14:5214:52, 8 February 2011 diff hist +280‎ INIMIX ‎No edit summary
14:4914:49, 8 February 2011 diff hist +160‎ N Talk:INIMIX ‎ Created page with 'I think the description of INIMIX=2 in the manual was incorrect. It says INIMIX=2 is equal to INIMIX=2 and AMIX=1, which should probably be INIMIX=0 and AMIX=1.' current
14:4714:47, 8 February 2011 diff hist +1,080‎ N INIMIX ‎ Created page with '{{TAGDEF|INIMIX|0 {{!}} 1 {{!}} 2|1}} Description: {{TAG|INIMIX}} determines the functional form of the initial mixing matrix in the Broyden scheme ({{TAG|IMIX}}=4). ---- The in…'
14:1314:13, 8 February 2011 diff hist +11‎ IMIX ‎No edit summary
13:4013:40, 8 February 2011 diff hist +456‎ IMIX ‎No edit summary
10:0510:05, 8 February 2011 diff hist +218‎ IMIX ‎No edit summary

17:4717:47, 7 February 2011 diff hist +2‎ IMIX ‎No edit summary
17:4317:43, 7 February 2011 diff hist +52‎ IMIX ‎No edit summary
17:4217:42, 7 February 2011 diff hist +467‎ IMIX ‎No edit summary
17:3117:31, 7 February 2011 diff hist +842‎ IMIX ‎No edit summary
17:1117:11, 7 February 2011 diff hist −24‎ IMIX ‎No edit summary
17:1017:10, 7 February 2011 diff hist +181‎ N Talk:IMIX ‎ Created page with 'The third eq. in explanation of the Verlet algorith (in the Tschebycheff sec.) looks wrong (\rho_{N+1} on the RHS). It is a literal copy of what is in the VASP manual at the mome…' current
17:0817:08, 7 February 2011 diff hist +514‎ IMIX ‎No edit summary
16:5816:58, 7 February 2011 diff hist +361‎ IMIX ‎No edit summary
16:5016:50, 7 February 2011 diff hist +209‎ IMIX ‎No edit summary
16:4716:47, 7 February 2011 diff hist +200‎ IMIX ‎No edit summary
16:4516:45, 7 February 2011 diff hist +358‎ IMIX ‎No edit summary
16:3816:38, 7 February 2011 diff hist +608‎ N IMIX ‎ Created page with '{{TAGDEF|IMIX|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: {{TAG|IMIX}} specifies the type of mixing. ---- *{{TAG|IMIX}}=0 *{{TAG|IMIX}}=1 *{{TAG|IMIX}}=2 *{{TAG|IMIX}}=3 …'
16:3316:33, 7 February 2011 diff hist +594‎ N BMIX ‎ Created page with '{{TAGDEF|BMIX|[real]|1.0}} Description: {{TAG|BMIX}} sets the cutoff wave vector for Kerker mixing scheme<ref name="kerker:prb:81"/> ({{TAG|IMIX}}=1 and/or {{TAG|INIMIX}}=1). --…'
15:4815:48, 7 February 2011 diff hist +471‎ N AMIX ‎ Created page with '{{TAGDEF|AMIX|[real]}} {{DEF|AMIX|0.8|if {{TAG|ISPIN}}{{=}}1 and one uses US-PPs|0.4|if {{TAG|ISPIN}}{{=}}2 and one uses US-PPs|0.4|if one uses PAW datasets}} Description: {{TAG…'

14:4014:40, 4 February 2011 diff hist +736‎ LMAXPAW ‎No edit summary
13:3413:34, 4 February 2011 diff hist +400‎ N LMAXPAW ‎ Created page with '{{TAGDEF|LMAXPAW|[integer]|2''l''<sub> max</sub>, where ''l''<sub> max</sub> is the maximum angular quantum number of the PAW partial waves in the {{FILE|POTCAR}} file.}} Descri…'
13:1513:15, 4 February 2011 diff hist +116‎ N Category:Projector-augmented-wave method ‎ Created page with 'PAW control tags and articles that discuss the PAW method. ---- Contents PAW'
13:0613:06, 4 February 2011 diff hist +1,205‎ N ADDGRID ‎ Created page with '{{TAGDEF|ADDGRID|.TRUE. {{!}} .FALSE. |.FALSE.}} Description: {{TAG|ADDGRID}} determines whether an additional support grid is used for the evaluation of the augmentation charge…'
12:4912:49, 4 February 2011 diff hist +16‎ LMAXMIX ‎No edit summary
12:2312:23, 4 February 2011 diff hist +53‎ GGA ‎ →‎References
12:2212:22, 4 February 2011 diff hist +53‎ GGA ‎ →‎References
12:2112:21, 4 February 2011 diff hist +86‎ GGA ‎No edit summary
12:1912:19, 4 February 2011 diff hist −4‎ IALGO ‎ →‎References
12:1712:17, 4 February 2011 diff hist −1‎ LREAL ‎ →‎References
12:1712:17, 4 February 2011 diff hist −1‎ Vaspwiki standards ‎ →‎Related Tags and Sections
12:0212:02, 4 February 2011 diff hist +633‎ GGA ‎No edit summary
11:4511:45, 4 February 2011 diff hist +679‎ GGA ‎No edit summary

18:0918:09, 3 February 2011 diff hist +463‎ N GGA ‎ Created page with '{{TAGDEF|GGA|PW {{!}} PB {{!}} LM {{!}} 91 {{!}} PE {{!}} RP {{!}} PS {{!}} AM| type of exchange-correlation in accordance with the {{FILE|POTCAR}} file}} Description: {{TAG|GGA…'
13:0513:05, 3 February 2011 diff hist +516‎ EDIFFG ‎No edit summary
13:0313:03, 3 February 2011 diff hist +139‎ N EDIFFG ‎ Created page with '{{TAGDEF|EDIFFG|[real]|{{TAG|EDIFF}}×10}} Description: {{TAG|EDIFFG}} ... ---- ---- Contents Category:INCAR'
11:4011:40, 3 February 2011 diff hist +610‎ Vaspwiki standards ‎No edit summary
11:2711:27, 3 February 2011 diff hist +1‎ Vaspwiki standards ‎No edit summary
11:2011:20, 3 February 2011 diff hist +882‎ Vaspwiki standards ‎No edit summary
11:1311:13, 3 February 2011 diff hist +212‎ Vaspwiki standards ‎No edit summary
11:1011:10, 3 February 2011 diff hist +1,646‎ N Vaspwiki standards ‎ Created page with '*You might start a page on the INCAR-tag "tagname" as follows <pre>{{TAGDEF|TAGNAME|val1 [{{!}} val2 {{!}} val3 {{!}} .. ] [|default] }}</pre> :Examples: # <pre>{{TAGDEF|NELM|[…'

17:0917:09, 2 February 2011 diff hist +51‎ Talk:Specific hybrid functionals ‎No edit summary current
16:5616:56, 2 February 2011 diff hist +61‎ HFSCREEN ‎No edit summary
16:4516:45, 2 February 2011 diff hist +37‎ Talk:HFSCREEN ‎No edit summary current
16:4516:45, 2 February 2011 diff hist +176‎ N Talk:HFSCREEN ‎ Created page with 'I propose we create a separate section with the theory and equations for "range separated hybrid functionals". The link is already inserted in the text of the HFSCREEN article.'
16:4216:42, 2 February 2011 diff hist +61‎ N Talk:Specific hybrid functionals ‎ Created page with 'I'm not sure about HFSCREEN = 0.3 for HSE03. Is this correct?'
16:3816:38, 2 February 2011 diff hist +23‎ HFSCREEN ‎No edit summary
16:3616:36, 2 February 2011 diff hist +1‎ HFSCREEN ‎No edit summary
16:3516:35, 2 February 2011 diff hist +37‎ HFSCREEN ‎No edit summary
16:3016:30, 2 February 2011 diff hist +283‎ HFSCREEN ‎No edit summary
16:2916:29, 2 February 2011 diff hist +482‎ N HFSCREEN ‎ Created page with '{{TAGDEF|HFSCREEN|[real]|none}} Description: {{TAG|HFSCREEN}} specifies the range-separation parameter in [[hybrid_functionals#range_separated|range separated hybrid functionals…'
15:2815:28, 2 February 2011 diff hist +24‎ ROPT ‎No edit summary
15:2715:27, 2 February 2011 diff hist +56‎ LHFCALC ‎No edit summary
14:5114:51, 2 February 2011 diff hist +53‎ LREAL ‎ →‎References
14:4914:49, 2 February 2011 diff hist +53‎ IALGO ‎ →‎References
14:4914:49, 2 February 2011 diff hist +55‎ IALGO ‎ →‎References
14:4814:48, 2 February 2011 diff hist +47‎ IALGO ‎ →‎References
14:4414:44, 2 February 2011 diff hist +1‎ IALGO ‎ →‎References
14:4314:43, 2 February 2011 diff hist −2‎ IALGO ‎ →‎References
14:4314:43, 2 February 2011 diff hist +53‎ IALGO ‎ →‎References
14:4014:40, 2 February 2011 diff hist +57‎ ISTART ‎No edit summary
00:0700:07, 2 February 2011 diff hist −2‎ LMAXFOCKAE ‎No edit summary
00:0700:07, 2 February 2011 diff hist 0‎ LMAXFOCKAE ‎No edit summary
00:0600:06, 2 February 2011 diff hist +3‎ LMAXFOCKAE ‎No edit summary
00:0600:06, 2 February 2011 diff hist +9‎ LMAXFOCKAE ‎No edit summary
00:0500:05, 2 February 2011 diff hist +1,264‎ N LMAXFOCKAE ‎ Created page with '{{TAGDEF|LMAXFOCKAE|[integer]|-1}} Description: {{TAG|LMAXFOCKAE}} sets the maximum angular quantum number ''l'' for the "accurate" augmentation of charge densities in Hartree-F…'

21:5221:52, 1 February 2011 diff hist +20‎ LMAXFOCK ‎ →‎Related Tags and Sections
20:5920:59, 1 February 2011 diff hist 0‎ LMAXFOCK ‎No edit summary
20:5820:58, 1 February 2011 diff hist +1,183‎ N LMAXFOCK ‎ Created page with '{{TAGDEF|LMAXFCOK|[integer]|4}} Description: {{TAG|LMAXFOCK}} sets the maximum angular momentum quantum number ''l'' for the augmentation of charge densities in Hartree-Fock typ…'
20:4020:40, 1 February 2011 diff hist +64‎ N Category:VASP ‎ Created page with 'This is the top-level category ---- Contents' current
20:3420:34, 1 February 2011 diff hist +289‎ N TIME ‎ Created page with '{{TAGDEF|TIME|[real]|0.4}} Description: {{TAG|TIME}} controls the time step for {{TAG|IALGO}}=5X and for the initial (steepest descent) phase of {{TAG|IALGO}}=4X. ---- == Relate…'
20:2920:29, 1 February 2011 diff hist 0‎ LHFCALC ‎No edit summary
20:2820:28, 1 February 2011 diff hist +1‎ LHFCALC ‎No edit summary
20:2720:27, 1 February 2011 diff hist +311‎ LHFCALC ‎No edit summary
20:2320:23, 1 February 2011 diff hist +59‎ LHFCALC ‎No edit summary
20:2120:21, 1 February 2011 diff hist +115‎ LHFCALC ‎No edit summary
20:1720:17, 1 February 2011 diff hist 0‎ LHFCALC ‎No edit summary
20:1720:17, 1 February 2011 diff hist +59‎ LHFCALC ‎No edit summary
20:1320:13, 1 February 2011 diff hist +1,246‎ LHFCALC ‎No edit summary
20:0720:07, 1 February 2011 diff hist +92‎ IALGO ‎ →‎Direct optimization
20:0020:00, 1 February 2011 diff hist −1‎ LHFCALC ‎No edit summary
20:0020:00, 1 February 2011 diff hist +278‎ N LHFCALC ‎ Created page with '{{TAGDEF|LHFCALC|.TRUE. [{{!}} .FALSE. |.FALSE.}} Description: {{TAG|LHFCALC}} specifies whether Hartree-Fock/DFT hybrid functional type calculations are performed. ---- == Rel…'
19:5719:57, 1 February 2011 diff hist +20‎ ALDAC ‎No edit summary
19:5719:57, 1 February 2011 diff hist +20‎ AGGAC ‎No edit summary
19:5619:56, 1 February 2011 diff hist +20‎ AGGAX ‎No edit summary
19:5419:54, 1 February 2011 diff hist +20‎ AEXX ‎No edit summary
17:0817:08, 1 February 2011 diff hist +1,363‎ N ALDAC ‎ Created page with '{{TAGDEF|ALDAC|[real]|1.0}} Description: {{TAG|ALDAC}} specifies the fraction of LDA correlation in a Hartree-Fock/DFT hybrid functional type calculation. ---- The sum of the fr…'
17:0717:07, 1 February 2011 diff hist +1,387‎ N AGGAC ‎ Created page with '{{TAGDEF|AGGAC|[real]|1.0}} Description: {{TAG|AGGAC}} specifies the fraction of gradient corrections to the correlation in a Hartree-Fock/DFT hybrid functional type calculation…'
17:0617:06, 1 February 2011 diff hist +1,397‎ N AGGAX ‎ Created page with '{{TAGDEF|AGGAX|[real]|1.0-{{TAG|AEXX}}}} Description: {{TAG|AGGAX}} specifies the fraction of gradient corrections to the exchange in a Hartree-Fock/DFT hybrid functional type c…'
17:0317:03, 1 February 2011 diff hist +17‎ AEXX ‎No edit summary
17:0217:02, 1 February 2011 diff hist +148‎ AEXX ‎No edit summary
16:5716:57, 1 February 2011 diff hist +907‎ AEXX ‎No edit summary
16:5216:52, 1 February 2011 diff hist +345‎ N AEXX ‎ Created page with '{{TAGDEF|AEXX|[real]}} {{DEF|AEXX|0.25|if {{TAG|LHFCALC}}{{=}}.TRUE.|0|otherwise}} Description: {{TAG|AEXX}} specifies the fraction of exact exchange in a Hartree-Fock/DFT hybri…'
16:2116:21, 1 February 2011 diff hist +23‎ Talk:ROPT ‎No edit summary current
16:2016:20, 1 February 2011 diff hist +113‎ N Talk:ROPT ‎ Created page with 'I left out the bit at the very bottom of: http://cms.mpi.univie.ac.at/vasp/vasp/LREAL_tag_and_ROPT_tag.html#3840'
16:1916:19, 1 February 2011 diff hist +396‎ ROPT ‎No edit summary
16:1716:17, 1 February 2011 diff hist +7‎ LREAL ‎No edit summary
16:1616:16, 1 February 2011 diff hist +2‎ ROPT ‎No edit summary
16:1516:15, 1 February 2011 diff hist +1,549‎ ROPT ‎No edit summary
15:4315:43, 1 February 2011 diff hist +70‎ ROPT ‎No edit summary
15:3815:38, 1 February 2011 diff hist +962‎ ROPT ‎No edit summary
15:2015:20, 1 February 2011 diff hist +1,054‎ LREAL ‎No edit summary
15:1415:14, 1 February 2011 diff hist +13‎ ROPT ‎ →‎Related Tags and Sections
15:1315:13, 1 February 2011 diff hist −92‎ ROPT ‎No edit summary
15:1015:10, 1 February 2011 diff hist +70‎ Template:DEF ‎No edit summary current
15:0515:05, 1 February 2011 diff hist +1,320‎ N ROPT ‎ Created page with '{{TAGDEF|ROPT|[real array], one entry for each species on the {{FILE|POTCAR}} file}} {{DEF|ROPT|0.67|if {{TAG|LREAL}}{{=}}On and {{TAG|PREC}}{{=}}Low|1.0|if {{TAG|LREAL}}{{=}}On …'
14:0814:08, 1 February 2011 diff hist −8‎ LREAL ‎No edit summary
14:0514:05, 1 February 2011 diff hist +924‎ LREAL ‎No edit summary
13:4113:41, 1 February 2011 diff hist +1‎ LREAL ‎No edit summary
13:4013:40, 1 February 2011 diff hist +226‎ LREAL ‎No edit summary
13:3613:36, 1 February 2011 diff hist +1,575‎ LREAL ‎No edit summary
13:2213:22, 1 February 2011 diff hist +26‎ LREAL ‎ →‎Related Tags and Sections
13:1013:10, 1 February 2011 diff hist +819‎ LREAL ‎No edit summary
13:0713:07, 1 February 2011 diff hist +55‎ PREC ‎ →‎Intro
13:0513:05, 1 February 2011 diff hist +25‎ LREAL ‎No edit summary
13:0013:00, 1 February 2011 diff hist +492‎ LREAL ‎No edit summary
12:4812:48, 1 February 2011 diff hist +1‎ LREAL ‎No edit summary
12:4812:48, 1 February 2011 diff hist +312‎ LREAL ‎No edit summary
12:3912:39, 1 February 2011 diff hist +21‎ LREAL ‎No edit summary
12:3412:34, 1 February 2011 diff hist +390‎ LREAL ‎No edit summary
12:2812:28, 1 February 2011 diff hist +296‎ N LREAL ‎ Created page with '{{TAGDEF|LREAL|.TRUE. {{!}} .FALSE. {{!}} On (or O) {{!}} Auto (or A)|.FALSE.}} Description: {{TAG|LREAL}} determines whether the projection operators are evaluated in real-spac…'
11:5511:55, 1 February 2011 diff hist +122‎ N Talk:NELECT ‎ Created page with 'The remarks about the homogeneous LDA electron gas: is this really all? Doesn't one need some special POTCAR file as well?' current
11:5511:55, 1 February 2011 diff hist +691‎ N NELECT ‎ Created page with '{{TAGDEF|NELECT|[real]|number of valence electrons}} Description: {{TAG|NELECT}} sets the number of electrons. ---- Usually you should not set this line. The number of electrons…'
11:0111:01, 1 February 2011 diff hist +45‎ N Talk:NBANDS ‎ Created page with 'NIONS and NMAG should be defined in the text.' current
10:3210:32, 1 February 2011 diff hist +1,609‎ N NBANDS ‎ Created page with '{{TAGDEF|NBANDS|[integer]}} {{DEF|NBANDS|{{TAG|NELECT}}/2+NIONS/2|non-spinpolarized|0.6*{{TAG|NELECT}}+NMAG|spinpolarized}} Description: {{TAG|NBANDS}} determines the actual num…'

17:1817:18, 31 January 2011 diff hist +14‎ IALGO ‎ →‎Related Tags and Sections
17:1617:16, 31 January 2011 diff hist +102‎ Talk:IALGO ‎No edit summary current
16:4916:49, 31 January 2011 diff hist −100‎ IALGO ‎ →‎References
16:4716:47, 31 January 2011 diff hist +1,656‎ IALGO ‎ →‎Direct optimization
16:4316:43, 31 January 2011 diff hist +68‎ Talk:IALGO ‎No edit summary
16:4216:42, 31 January 2011 diff hist +254‎ IALGO ‎No edit summary
16:3816:38, 31 January 2011 diff hist +1,101‎ IALGO ‎ →‎Direct optimization
16:2516:25, 31 January 2011 diff hist −16‎ IALGO ‎ →‎Direct optimization of the orbitals
16:2416:24, 31 January 2011 diff hist +2‎ IALGO ‎ →‎Direct optimization of the orbitals
16:2316:23, 31 January 2011 diff hist +2‎ IALGO ‎ →‎Direct optimization of the orbitals
16:2216:22, 31 January 2011 diff hist +875‎ IALGO ‎No edit summary
15:3215:32, 31 January 2011 diff hist +14‎ IALGO ‎ →‎Related Tags and Sections
15:2515:25, 31 January 2011 diff hist −1‎ IALGO ‎ →‎Conjugate gradient algorithms
15:2515:25, 31 January 2011 diff hist −34‎ IALGO ‎No edit summary
15:2315:23, 31 January 2011 diff hist +685‎ IALGO ‎ →‎Conjugate gradient algorithms
14:3814:38, 31 January 2011 diff hist +1,212‎ IALGO ‎ →‎Miscellaneous
14:3114:31, 31 January 2011 diff hist +152‎ IALGO ‎No edit summary
14:1714:17, 31 January 2011 diff hist +128‎ IALGO ‎No edit summary
14:1214:12, 31 January 2011 diff hist +4,968‎ IALGO ‎No edit summary
13:5713:57, 31 January 2011 diff hist −1‎ Talk:IALGO ‎No edit summary
13:5713:57, 31 January 2011 diff hist +2‎ Talk:IALGO ‎No edit summary
13:5713:57, 31 January 2011 diff hist +189‎ Talk:IALGO ‎No edit summary
13:4713:47, 31 January 2011 diff hist +909‎ IALGO ‎No edit summary
13:3913:39, 31 January 2011 diff hist 0‎ IALGO ‎No edit summary
13:3613:36, 31 January 2011 diff hist +2‎ IALGO ‎No edit summary
13:3613:36, 31 January 2011 diff hist +50‎ N Talk:IALGO ‎ Created page with 'We should add a reference to the Kosugi algorithm.'
13:0813:08, 31 January 2011 diff hist +512‎ IALGO ‎No edit summary
13:0513:05, 31 January 2011 diff hist +288‎ IALGO ‎No edit summary
13:0013:00, 31 January 2011 diff hist +960‎ IALGO ‎No edit summary
12:3612:36, 31 January 2011 diff hist +10‎ NELMIN ‎No edit summary
12:3612:36, 31 January 2011 diff hist +15‎ NELMIN ‎No edit summary
12:3512:35, 31 January 2011 diff hist +15‎ NELMDL ‎No edit summary
12:3512:35, 31 January 2011 diff hist +220‎ N IALGO ‎ Created page with '{{TAGDEF|IALGO|8 {{!}} 38 {{!}} 48}} {{DEF|IALGO|8|for VASP.4.4 and older|38|else (if {{TAG|ALGO}} is not set)}} Description: ---- == Related Tags and Sections == ---- [[The_…'
12:3012:30, 31 January 2011 diff hist +52‎ N Talk:ALGO ‎ Created page with 'GW, ACFDT, and MP2 are still missing in the section.' current
12:2712:27, 31 January 2011 diff hist −36‎ NELMIN ‎No edit summary
12:2512:25, 31 January 2011 diff hist +44‎ NELMIN ‎ →‎Related Tags and Sections
12:2312:23, 31 January 2011 diff hist +39‎ NELMIN ‎No edit summary
12:2212:22, 31 January 2011 diff hist +371‎ N NELMIN ‎ Created page with '{{TAGDEF|NELMIN|2}} Description: specifies the minimum number of electronic SC steps. ---- Generally you do not need to change this setting. In some cases (for instance MD's, o…'
10:3610:36, 31 January 2011 diff hist +933‎ NELMDL ‎No edit summary
10:2610:26, 31 January 2011 diff hist +106‎ NELMDL ‎No edit summary
10:2510:25, 31 January 2011 diff hist +168‎ N NELMDL ‎ Created page with '{{TAGDEF|NELMDL|[integer]}} {{DEF|NELMDL|-5|if {{TAG|ISTART}}=0, {{TAG|INIWAV}}=1, and {{TAG|IALGO}}=8|-12|if {{TAG|ISTART}}=0, {{TAG|INIWAV}}=1, and {{TAG|IALGO}}=48}}'

20:0920:09, 29 January 2011 diff hist +49‎ EDIFF ‎No edit summary
20:0420:04, 29 January 2011 diff hist +65‎ NELM ‎No edit summary
20:0020:00, 29 January 2011 diff hist +143‎ N Talk:NELM ‎ Created page with 'The "mixing parameters" should be a link to a section on mixing. Probably each tag should contain a little "related tags and sections" section.' current
19:5719:57, 29 January 2011 diff hist +8‎ LMAXMIX ‎No edit summary
19:5419:54, 29 January 2011 diff hist +122‎ N Talk:LVTOT ‎ Created page with 'In the manual there is a bit of discussion concerning core level shifts in the LVTOT section. What should we do with this?' current
19:5319:53, 29 January 2011 diff hist +201‎ N LVTOT ‎ Created page with '{{TAGDEF|LVTOT|[logical]|.FALSE.}} Description: {{TAG|LVTOT}} determines whether the total local potential is written to the {{FILE|LOCPOT}} file. ---- [[The_VASP_Manual|Content…'
19:4819:48, 29 January 2011 diff hist +7‎ LMAXMIX ‎No edit summary
19:4719:47, 29 January 2011 diff hist +1,262‎ N LMAXMIX ‎ Created page with '{{TAGDEF|LMAXMIX|[integer]|2}} Description: {{TAG|LMAXMIX}} controls up to which ''l''-quantum number the one-center PAW charge densities are passed through the charge density m…'
17:3417:34, 29 January 2011 diff hist −39‎ ALGO ‎No edit summary
17:3317:33, 29 January 2011 diff hist +1,713‎ ALGO ‎No edit summary
17:1917:19, 29 January 2011 diff hist −13‎ NSW ‎No edit summary
17:1817:18, 29 January 2011 diff hist −15‎ EDIFF ‎No edit summary
17:1717:17, 29 January 2011 diff hist −14‎ NELM ‎No edit summary
17:1717:17, 29 January 2011 diff hist +220‎ N ALGO ‎ Created page with '{{TAGDEF|ALGO|Normal {{!}} VeryFast {{!}} Fast {{!}} Conjugate {{!}} All {{!}} Damped {{!}} Subrot {{!}} Eigenval {{!}} None {{!}} Nothing|Normal}} Description: ---- ---- [[The_…'
17:0817:08, 29 January 2011 diff hist +727‎ N EDIFF ‎ Created page with '{{TAGDEF|EDIFF|[real]}} {{DEF|EDIFF|<math>10^{-4}</math>|}} Description: {{TAG|EDIFF}} specifies the global break condition for the electronic SC-loop. ---- The relaxation of th…'
17:0217:02, 29 January 2011 diff hist +491‎ N NELM ‎ Created page with '{{TAGDEF|NELM|[integer]}} {{DEF|NELM|60|}} Description: {{TAG|NELM}} sets the maximum number of electronic SC (selfconsistency) steps which may be performed. ---- Normally, ther…'
16:5816:58, 29 January 2011 diff hist +399‎ N NSW ‎ Created page with '{{TAGDEF|NSW|[integer]}} {{DEF|NSW|0|}} Description: {{TAG|NSW}} sets the maximum number of ionic steps. ---- '''Mind''': Within each ionic step at most {{TAG|NELM}} electronic-…'

17:0617:06, 28 January 2011 diff hist +18‎ INIWAV ‎No edit summary
17:0617:06, 28 January 2011 diff hist +842‎ N INIWAV ‎ Created page with '{{TAGDEF|INIWAV|0 {{!}} 1}} {{DEF|INIWAV|1|}} Description: {{TAG|INIWAV}} specifies how to set up the initial orbitals in case {{TAG|ISTART}}=0. ---- *{{TAG|INIWAV}}=0 :Take 'je…'
16:5516:55, 28 January 2011 diff hist +18‎ ISTART ‎No edit summary
16:4716:47, 28 January 2011 diff hist +7‎ ISTART ‎No edit summary
16:4616:46, 28 January 2011 diff hist +2,622‎ ISTART ‎No edit summary
16:1916:19, 28 January 2011 diff hist +15‎ ISTART ‎No edit summary
16:1716:17, 28 January 2011 diff hist −3‎ ISTART ‎No edit summary
16:1716:17, 28 January 2011 diff hist +473‎ ISTART ‎No edit summary
16:0916:09, 28 January 2011 diff hist +690‎ ISTART ‎No edit summary
15:5915:59, 28 January 2011 diff hist +77‎ ISTART ‎No edit summary
15:5715:57, 28 January 2011 diff hist +97‎ ISTART ‎No edit summary
15:5415:54, 28 January 2011 diff hist +51‎ ISTART ‎No edit summary
15:5215:52, 28 January 2011 diff hist +90‎ N ISTART ‎ Created page with '{{TAGDEF|ISTART|0 {{!}} 1 {{!}} 2}} ---- Contents Category:INCAR'
14:5814:58, 28 January 2011 diff hist −15‎ ICHARG ‎No edit summary

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