求助资源vtstcode.tar.gz，谢谢

心辉 · 发表于 Post on 2019-1-17 16:32:44

如题，小弟在编译vasp的vtst。但是无奈没有vtstcode.tar.gz恳请各位能发小弟一份，万般感谢

abin · 发表于 Post on 2019-1-17 20:58:50

http://theory.cm.utexas.edu/vasp/download.html
http://theory.cm.utexas.edu/forum/viewtopic.php?t=3557

心辉 · 发表于 Post on 2019-1-18 09:48:14

abin 发表于 2019-1-17 20:58
http://theory.cm.utexas.edu/vasp/download.html
http://theory.cm.utexas.edu/forum/viewtopic.php?t=35 ...

您好这两个网站我登录不上去不知道是什么原因您现在手上有现成的文件么？有的话，是否能发一份给我。1193666715@qq.com

tcclab · 发表于 Post on 2019-1-19 03:02:33

本帖最后由 tcclab 于 2019-1-20 00:54 编辑

给作者发邮件，回复如下：
Hi xxx,

Sorry about the web server - we had a fire/flood in our server room which has made for
quite an eventful week.  We’ll hopefully have the web page back up this week.  For now,
here is the code.  You just put the .F files in your vasp src directory and add the entries
to the .objects file.

Specifically, at the top of the objects file you can add the lines:

VTST_OBJS = bfgs.o dynmat.o  instanton.o  lbfgs.o sd.o cg.o dimer.o bbm.o \
         fire.o lanczos.o neb.o  qm.o opt.o chain.o

and then lower down in the file add the one line with       $(VTST_OBJS) \:

…
tetweight.o \
hamil_rot.o \
      $(VTST_OBJS) \
dyna.o \
k-proj.o \
…

The vtstscripts (also attached) are useful tools to work with the vtstcode.

Graeme

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[VASP] 求助资源vtstcode.tar.gz，谢谢

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