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Readme macros Readme macros Document Transcript

  • RIETAN-FP VENUS ∗ 305-0044 1-1 2011 1 51 RIETAN-FP VENUS Windows *1RIETAN-FP VENUS*2 PRIMA ALBA VESTA22.1 Readme Windows Windows versions.zip Readme win.pdf Windows Readme win.pdf2.2 v8.02 C: Program Files Hidemaru v6.14 ∗ E-mail: IZUMI.Fujio@nims.go.jp *1 http://hide.maruo.co.jp/software/hidemaru.html *2 http://homepage.mac.com/fujioizumi/visualization/VENUS.html 1
  • 64 Windows 64 32 C: Program Files Hidemaru (x86) Windows DLL (Dynamic Link Library) DLL*3 Readme win.pdf Windows RIETAN VENUS DengakuDLL.dll DLL C: Program Files Hidemaru DLL HTML C: ProgramFiles RIETAN VENUS Macros DengakuDLL manual2.32.3.1 RIETAN-FP VENUS Readme win.pdf Windows versions RIETAN VENUS C: Program FilesC: Program Files RIETAN VENUS2.3.2 Web URL 4 C: ProgramFiles • VESTA: C: Program Files VESTA • EXPO2004: C: Program Files EXPO2004 • SUPERFLIP: C: Program Files SUPERFLIP • PowderX: C: Program Files PowderX • Powder 4: C: Program Files Powder4 • EDMA: C: Program Files EDMA VESTA VENUS*4VESTA C: Program Files2.4 Windows Windows OSWindows XP [ ]Windows Vista [ ] *3 http://www.ceres.dti.ne.jp/˜sugiura/ *4 http://homepage.mac.com/fujioizumi/visualization/VENUS.html 2
  • 4 • pdf Adobe Reader PDF • itx Igor Pro • xls Microsoft Excel OpenOffice.org Calc RIETAN-FP No. 28Igor Pro*5 No. 2 Plot Space groups.xls No. 29, Space groups33.1 / [ ] C: Program Files Hidemaru *.reg / [ ]3.23.2.1 ... ... ... C: Program Files RIETAN VENUS Macros RIETAN-FP.key / ... *5 http://www.wavemetrics.com/ 3
  • [ ] C: Program Files RIETAN VENUS MacrosRIETAN-FP.reg • C: Program Files RIETAN VENUS Macros • C: Program Files RIETAN VENUS Macros3.2.2 PC PC CPU [ ] ... [ ] [ ] PC *.lst X1004 No. 1 30 1 2 1 Ctrl-E 25 3 4
  • 1 RIETAN-FP VENUS 2 RIETAN-FP VENUS4.1 No. 1 10 10 1. RIETAN.mac (RIETAN): RIETAN-FP 5
  • 3 RIETAN-FP VENUS 2. Plot.mac (Plot): Igor Pro RietView*6 *.itx 3. ORFFE.mac (ORFFE): ORFFE 4. PRIMA.mac (PRIMA): PRIMA MEM 5. ALBA.mac (ALBA): ALBA 6. lst2cif.mac (lst2cif ): RIETAN-FP CIF*7 *.lst *.cif 7. res2ins.mac (res2ins...): res2ins *.res EXPO2004*8 *.ins 8. Alchemy.mac (Alchemy): Alchemy *.fos RIETAN-FP *.mem 9. EXPO.mac (EXPO...): EXPO2004 10. SUPERFLIP.mac (SUPERFLIP): Charge flipping SUPERFLIP*9 VESTA*10 3D RIETAN No. 1 *.ins.BAK Plot No. 2 RietView *.itxIgor Pro itx Igor Pro Plot.mac 9 RietView *.itx *6 http://members.at.infoseek.co.jp/DrHell/labo/index.html *7 http://www.iucr.org/ data/iucr/cif/standard/cifstd1.html *8 http://www.ic.cnr.it/ *9 http://superspace.epfl.ch/superflip/ *10 http://www.geocities.jp/kmo mma/crystal/jp/vesta.html 6
  • 4 *.prf openbyshell $itx; // Open by Igor Pro PRIMA No. 4 PRIMA *.prf ( ).prf ( ).prf PRIMA Macros template.prf *.prf4 *.prf *.prf PRIMA template.prf PRIMA 64 PRIMA64.exe ALBA No. 5 *.alb *.txt SUPERFLIP No. 10 inflip *.inflip 3D *.xplor4.2 No. 11 17 7 [3D ] F1 F7 Ctrl-E 11. VESTA.mac (VESTA): VESTA 3D 12. VESTA ins.mac (VESTA/ins): VESTA *.ins 3D 13. VESTA lst.mac (VESTA/lst): VESTA *.lst 3D 7
  • 14. VESTA cif.mac (VESTA/cif ): VESTA *.cif 3D 15. VESTA den (VESTA/den): VESTA *.den 3D 16. VESTA pri (VESTA/pri): VESTA *.pri 3D 17. VESTA vesta (VESTA/vesta): VESTA *.vesta 3D VESTA No. 11 VESTA*.ins, *.lst, *.cif, *.den, *.vesta F3 [ ] VESTA/lst No. 13 [ ] Ctrl-G VESTA VESTA lst *.lst Manipulation Select Wyckoff4.3 No. 21 30 [ ] No. 21 28 No. 21 Ctrl-E Ctrl-T No. 22 27 Ctrl-E No. 28 F8 Ctrl-E 21. ExtDriver.mac ( ): *11 5.4 22. XY RIETAN.mac (XY RIETAN): General Igor 2θ RIETAN *.int * 23. XY RIETAN.mac (RIETAN General): RIETAN General *.int * 24. PowderX.mac (PowderX...): PowderX*12 25. Powder4.mac (Powder 4...): Powder 4*13 26. EDMA.mac (EDMA): EDMA*14 27. MADEL.mac (MADEL): MADEL 28. Manual.mac ( ): RIETAN-FP PDF RIETAN-FP manual.pdf 29. Space groups.mac (Space groups): Hermann-Mauguin Excel 97-2004 Space groups.xls 30. BVP.mac (Bond valence parameters): Bond valence parameter CIF *11 http://hide.maruo.co.jp/lib/macro/extdriver001.html *12 http://www.ccp14.ac.uk/tutorial/powderx/index.html *13 http://www.ccp14.ac.uk/ccp/web-mirrors/ndragoe/html/software.html *14 http://superspace.epfl.ch/superflip/ 8
  • *15 (bvparm2009.cif) XY RIETAN No. 22 *.int *.int.BAK XY RIETAN *.int EXPO2004 RIETAN-FP 8.4.1 MADEL No. 27 RIETAN VENUS examples YBa2Cu4O8 YBa2Cu4O8.pme YBa2Cu4O8.mad mad VESTA MADEL *.pme 2.4 Space groups No. 29 C: Program FilesRIETAN VENUS Macros Space groups.xls Excel Calc OpenOffice.org*16 “2” “InternationalTables for Crystallography,” Vol. A 2 STRUCTURE TIDY4.4 No. 31 33 [ ] No. 31 F9 No. 32 F10 No. 33 Ctrl-Q 31. openExplorer.mac ( ): *17 32. Command Prompt.mac ( ): 33. quote2.mac ( ): *18 No. 31 PRIMA Igor Pro * eps.pat Igor Pro No. 33 100 RIETAN-FP VENUS C: ProgramFiles RIETAN VENUS Macros quote2.ini *15 http://www.ccp14.ac.uk/ccp/web-mirrors/i d brown/bond valence param/ *16 http://ja.openoffice.org/ *17 http://hide.maruo.co.jp/lib/macro/openexplorer.html *18 http://hide.maruo.co.jp/lib/macro/enter code.html 9
  • 55.1 Fapatite.ins Cu3Fe4P6.ins If Select If, then, else, end if, Select case, case, end select, Go to5.2 Manual No. 27 *.ins sample.xyzsample.xyz sample.ins ORFFE No. 3 RIETAN No. 1 lst2cif No. 6 1) *.ins *.ins *.ins ( ) *.ins RIETAN-FP 2) *.ins RIETAN-FP RIETAN-FP *.ins5.3 • RIETAN: *.ins, *.lst, *.xyz ( ), *.ffo • ORFFE: *.xyz ( ), *.dst • PRIMA: *.out • ALBA: *.out • lst2cif : *.cif • res2ins: *.ins • Alchemy: *.mem • EXPO: *.exp *.ffx Le Bail • SUPERFLIP: *.sflog, *.xplor VESTA 3D • XY RIETAN: *.int • EDMA: *.cif, *.coo *.lst, *.dst, *.out, *.mem, *.sflog 10
  • 5.4 No. 21 Ctrl+T No. 1 8, 14, 15, 17, STRUCTURE TIDY.mac C: ProgramFiles RIETAN VENUS Macros ffo ffx EXPO extra.hkl ext2ffi.mac ext2ffi.mac *.ffi *.ffi STRUCTURE TIDY sti STRUCTURE TIDY.mac STRUCTURE TIDY *.sto STRUCTURE TIDYRIETAN-FP manual.pdf 8.3.10 *.sti • 1 *19 • 2 0 1 • 3 a, b, c, α, β, γ • 4 3 *20 • 2 end STRUCTURE TIDY “end” RIETAN VENUS examples YBa2Cu4O8YBa2Cu4O8.sti YBa2Cu4O8.sto RIETAN VENUS examples Zr2Fe12P7 Zr2Fe12P7.sti Zr2Fe12P7.sto5.5 Ctrl+E 35.6 / & X *19 Space groups . *20 2 6 O2 Fe3 H123a 11
  • 55.7 v8.0 5 [ ] [ ]6 *.mac [ ] 12
  • [ ] [ ]7 • “ Ver7 ,” Iranoan, (2007), 7 .7.1 n n=4 7 [ ] / [ ] [ ] [ ]7.2 / ctrl, Alt / n OK7.3 Ctrl+E [ ] ( )7.4 [ ] [ ] [ ] [ / ] [ ] [ ] 13
  • Mn n: 1, 2, 3, [ ] [ ] [ ]7.5 run, runsync, runsync2 “+” runsync runsync2 "7.6 [ ] [ ]7.7 [ ] [ ] [ ...] 14