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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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发表于 Post on 2019-1-17 16:32:44
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