hi : thank for lan haiping , and there is another problem present when i put *.o8888 (a out file produced by machine)to xcrysden ,the software ask me which to see,i choose the initial structure ,and it is OK ,but when i choose to havea look at the optimized and latest structure ,it gives error message :an error occurred while trying to update a structure;error reading /home/xyh/xcry_tmp/xc_8016/xc_structure8016 so i do not know the reason and how to resolve it .if you could give me a piece of advice .i will be thankful. bests
2007/11/27, lan haiping <lanhaiping at gmail.com>: > > Dear Yuehua, > > xcrysden can read input/output of pwscf . you can achieve just by > 'xcrysden --pwi (or -pwo) pwscf.in(pwscf.out)' . > good luck > > Regards. > > > On Nov 27, 2007 2:39 PM, xu yuehua < njuxuyuehua at gmail.com> wrote: > > > > > hi all: > > i relaxed a structure ,and want to see the details,and the XCrySDen can > > read the *xyz AND *XSF .SO HOW TO get the above file .my out file does not > > including the above . > > thanks for your help. > > bests > > -- > > Xu Yuehua > > physics Department of Nanjing university > > China > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > -- > Hai-Ping Lan > Department of Electronics , > Peking University , Bejing, 100871 > lanhaiping at gmail.com, hplan at pku.edu.cn > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Xu Yuehua physics Department of Nanjing university China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071127/0a8887ca/attachment.htm
