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ApolloYang

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[资源] ［分享］一个详细的p4vasp安装指南

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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