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［分享］一个详细的p4vasp安装指南
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p4vasp???b?O?? Goal?? VASP??solid state physics????B???????г??????????w???书??????CASTEP?????VASP????CASTEP??????????????????????CASTEP???friendly interface?????????????????_??l?VASP??GUI??graphic user interface??????}??????p4vasp??????γ????p4vasp??0.2.0?l???????0.3.9????????xPOSCAR??CONTCAR????X??????Y???????????xml?????vasprun.xml??????n???????DOS??band structure??? Package?? ??Linux???bp4vasp?r?????p4vasp?K?o??configure file????????????????Щ?????????@???????b????д_???????????????????????????????????s??Q????f????????b??????r?????????b????????????????b?????????s????????????RPM???????±???python??gcc??X?@???????????????SuSE????b????ж????С????@?e???b??SUSE 10.0?鹠???? Required Package libglade 0.16 glade-2.10.0-7.i586.rpm python-gtk 1.4.2 python-gtk-2.8.0-3.i586.rpm gtk2-2.8.3-4.i586.rpm python-devel 2.2.1 python-devel-2.4.1-3.i586.rpm tcl-8.4.11-2.i586.rpm tk-8.4.11-5.i586.rpm blt-2.4z-209.i586.rpm swig >=1.3.16 swig-1.3.24-4.i586.rpm fltk 1.1.0 fltk-1.1.6-4.i586.rpm fltk-devel 1.1.0 fltk-devel-1.1.6-4.i586.rpm mesaglu 4.0.3 freetype2-devel-2.1.10-4.i586.rpm fontconfig-devel-2.3.2.20050721-10.i586.rpm xorg-x11-devel-6.8.2-100.i586.rpm xorg-x11-Mesa-devel-6.8.2-100.i586.rpm python-numeric tix-8.1.4-79.i586.rpm python-imaging python-imaging-1.1.4-298.i586.rpm python-tk-2.4.1-3.i586.rpm python-numeric-24.0-2.i586.rpm 1. ???d ??http://cms.mpi.univie.ac.at/odubay/p4vasp_site/download.php???xsource???M???????к??汾??p4vasp??source code???????x??p4vasp v0.3.9?@???棬?????????x????汾?? 2. ???s ?????d???source code???s??????b ex: tar zxvf p4vasp-0.3.9.tgz 3. ???g?????b p4vasp?o????M?B?O????????????./ocnfigure?????????d??source code?о??????Makefile????????????make???g?????make install???b ex: make make install 4. ?y? ex: p4v ????D?ν?????F??????b??? Note : ??SuSE 9.x x84_64??r?????????С???}??????p4vasp??????/usr/lib/python2.x/site-packages?Y??A???????x86_64????}???????????????b??/usr/lib64/python2.x/site-packages????????????У??????o???_??????_cp4vasp.so??cp4vasp.py??p4vasp??/usr/lib/python2.x/site-packages???/usr/lib64/python2.x/site-packages????? Reference : p4vasp officical website http://cms.mpi.univie.ac.at/odubay/p4vasp_site/news.php [search]p4vasp ???[/search] [ Last edited by wuchenwf on 2009-6-13 at 23:10 ] |
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