24小时热门版块排行榜    

查看: 4262  |  回复: 3

kcy87123777

新虫 (小有名气)

[求助] 跪求:VESTA是不是只能打开Vasp的文件啊?

VESTA是不是只能打开Vasp的文件啊?我想看Ms的Dmol算出结构的电荷密度等值面,但是在VESTA中打不开,请大侠指教
回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐,对您同样有帮助:

守得云开见月明
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

漫天飘雪

版主 (知名作家)

认真做事,踏实做人

【答案】应助回帖

★ ★
感谢参与,应助指数 +1
cenwanglai: 金币+2, 谢谢回复~ 2013-09-30 14:32:38
vesta支持的输入格式:
VESTA format (*.vesta)
VICS format (*.vcs)
American Mineralogist Crystal Structure Database (*.amc)
asse (*.asse)
Chem3D
CIF (Crystallographic Information File)
CrystalMaker text file (*.cmt)
CSSR (Crystal Structure Search and Retrieval)
CSD/FDAT
DL_POLY CONFIG
FEFF input file (feff.inp)
FHI-AIMS input file (*.in)
GEOMETRY.OUT output by the Elk FP-LAPW Code
GSAS format (*.EXP)
ICSD (Inorganic Crystal Structure Database)
ICSD-CRYSTIN
MDL Molfile
MINCRYST (Crystallographic Database for Minerals)
MOLDA
PDB (Protein Data Bank)
Input files of RIETAN-FP (*.ins)
Output files of RIETAN-FP (*.lst)
Input file of SHELXL (*.ins, *.res)
Output files of STRUCTURE TIDY (*.sto)
Structure data files output by USPEX.
WIEN2k (*.struct)
XMol XYZ (*.xyz)
F01 for SCAT and C04D for contrd
MXDORTO/MXDTRICL FILE06.DAT, FILE07.DAT
XTL file (*.xtl)
http://blog.sciencenet.cn/u/pfliu89
2楼2013-09-30 11:49:57
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

漫天飘雪

版主 (知名作家)

认真做事,踏实做人

【答案】应助回帖

★ ★
franch: 金币+2, 谢谢回帖交流 2013-09-30 19:13:03
引用回帖:
2楼: Originally posted by 漫天飘雪 at 2013-09-30 11:49:57
vesta支持的输入格式:
VESTA format (*.vesta)
VICS format (*.vcs)
American Mineralogist Crystal Structure Database (*.amc)
asse (*.asse)
Chem3D
CIF (Crystallographic Information File)
CrystalMa ...

Volumetric data:

PRIMA binary format (*.pri; *.prim)
MEED/PRIMA text data (*.den)
Energy Band (*.eb)
General volumetric-data (text format) (*.?ed)
Periodic volumetric-data (text format) (*.grd)
General volumetric-data (binary format) (*.ggrid)
Periodic volumetric-data (binary format) (*.pgrid)
Compressed volumetric-data format (*.m3d)
SCAT volumetric-data files (*.sca, *.scat)
WIEN2k (*.rho) obtained with wien2venus.py
WinGX 3D Fourier (*.fou)
X-PLOR/CNX (*.xplor)
http://blog.sciencenet.cn/u/pfliu89
3楼2013-09-30 15:21:47
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

漫天飘雪

版主 (知名作家)

认真做事,踏实做人

【答案】应助回帖

★ ★
franch: 金币+2, 谢谢回帖交流 2013-09-30 19:13:09
引用回帖:
2楼: Originally posted by 漫天飘雪 at 2013-09-30 11:49:57
vesta支持的输入格式:
VESTA format (*.vesta)
VICS format (*.vcs)
American Mineralogist Crystal Structure Database (*.amc)
asse (*.asse)
Chem3D
CIF (Crystallographic Information File)
CrystalMa ...

Structure & volumetric data:

CASTEP (*.cell, *.charg_frm)
GAMESS input and 3D surface data files output by MacMolPlt
Gaussian Cube format
VASP
XCrySDen XSF format

全部支持的格式,好像没有MS,不过你可以把MS的格式输出成别的格式,然后再打开
http://blog.sciencenet.cn/u/pfliu89
4楼2013-09-30 15:23:17
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 kcy87123777 的主题更新
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考博] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +3 tqUTOxClQUMF 2026-09-28 3/150 2026-09-29 15:46 by etmYJ6d2rquH
[论文投稿] 售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急 +4 tqUTOxClQUMF 2026-09-28 4/200 2026-09-29 15:15 by etmYJ6d2rquH
[博后之家] 售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急 +3 tqUTOxClQUMF 2026-09-28 3/150 2026-09-29 15:04 by etmYJ6d2rquH
[考博] 售SCI一区T0P文章,我:8.O.55.1.O.54,科目齐全,可+急 +6 GDBe8tDZqE8z 2026-09-28 6/300 2026-09-29 14:41 by etmYJ6d2rquH
[考研] 售SCI一区T0P文章,我:8.O.55.1.O.54,科目齐全,可+急 +3 CfXuS1rDhLYN 2026-09-28 3/150 2026-09-29 14:24 by etmYJ6d2rquH
[找工作] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +6 IDs3scOF0tjC 2026-09-28 6/300 2026-09-29 14:13 by etmYJ6d2rquH
[博后之家] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 +6 IDs3scOF0tjC 2026-09-28 7/350 2026-09-29 14:07 by etmYJ6d2rquH
[博后之家] 售SCI一区文章,我:8.O.551.O.5.4,科目全,可伽急 +3 IDs3scOF0tjC 2026-09-28 3/150 2026-09-29 13:56 by etmYJ6d2rquH
[考研] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +3 tqUTOxClQUMF 2026-09-28 3/150 2026-09-29 09:59 by JzYBbHIXWSrW
[教师之家] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +4 GDBe8tDZqE8z 2026-09-28 4/200 2026-09-29 09:49 by JzYBbHIXWSrW
[考研] 售SCI一区文章,我:8.O.551.O.5.4,科目全,可伽急 +3 ZYXdhzDAy9ZX 2026-09-28 3/150 2026-09-29 06:42 by ZvyPK8n6Nfki
[找工作] 售SCI一区文章,我:8.O.551.O.5.4,科目全,可伽急 +3 ZYXdhzDAy9ZX 2026-09-28 3/150 2026-09-29 06:28 by ZvyPK8n6Nfki
[考博] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +3 ZYXdhzDAy9ZX 2026-09-28 3/150 2026-09-29 06:18 by ZvyPK8n6Nfki
[硕博家园] 售SCI一区T0P文章,我:8.O.55.1.O.54,科目齐全,可+急 +3 tqUTOxClQUMF 2026-09-28 3/150 2026-09-28 23:46 by b8fCuTHqckEt
[考研] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +3 GDBe8tDZqE8z 2026-09-28 3/150 2026-09-28 23:12 by b8fCuTHqckEt
[硕博家园] 售SCI一区T0P文章,我:8.O.55.1.O.54,科目齐全,可+急 +3 CfXuS1rDhLYN 2026-09-28 4/200 2026-09-28 22:55 by ez6fGg9abYaj
[公派出国] 售SCI一区文章,我:8O5.5.1.O5.4,科目全,可伽急 +4 IDs3scOF0tjC 2026-09-28 4/200 2026-09-28 22:55 by ez6fGg9abYaj
[有机交流] 同一个分子,一条来自文献,一条来自AI——不告诉你答案,你会选哪条? +3 tianxiaoxian 2026-09-28 6/300 2026-09-28 22:44 by tianxiaoxian
[博后之家] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 +3 IDs3scOF0tjC 2026-09-28 3/150 2026-09-28 22:21 by ez6fGg9abYaj
[考研] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +3 IDs3scOF0tjC 2026-09-28 4/200 2026-09-28 18:51 by 9lS3ad5oOymn
信息提示
请填处理意见