Search found 4 matches
- Fri Jul 16, 2021 5:42 am
- Forum: VTSTTools
- Topic: Not being able to compile vtst tools with vaspcode
- Replies: 6
- Views: 16490
Re: Not being able to compile vtst tools with vaspcode
Thank you so much Dr Graeme for your kind help and response
- Fri May 28, 2021 6:11 am
- Forum: VTSTTools
- Topic: Not being able to compile vtst tools with vaspcode
- Replies: 6
- Views: 16490
Re: Not being able to compile vtst tools with vaspcode
Thank you sir for your kind response
The calculation is running when I used inputs for neb. But I m not able to visualize the reaction coordinates. How can I visualize. Can you please give me an Idea.
Thank you again
The calculation is running when I used inputs for neb. But I m not able to visualize the reaction coordinates. How can I visualize. Can you please give me an Idea.
Thank you again
- Mon May 24, 2021 6:29 pm
- Forum: VTSTTools
- Topic: Not being able to compile vtst tools with vaspcode
- Replies: 6
- Views: 16490
Re: Not being able to compile vtst tools with vaspcode
Hello Professor !
Thank you so much for your response,
I have added these in the /src/.object file before chain.o
$(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 \
Copied all the files from vtstcode6.1 ...
Thank you so much for your response,
I have added these in the /src/.object file before chain.o
$(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 \
Copied all the files from vtstcode6.1 ...
- Mon May 24, 2021 10:36 am
- Forum: VTSTTools
- Topic: Not being able to compile vtst tools with vaspcode
- Replies: 6
- Views: 16490
Not being able to compile vtst tools with vaspcode
Dear Professor
I'm a beginner of vasp. I have downloaded vtsttools and scripts. I have understood about copying neb.F, dynmat.F, dimer.F, lanczos.F, sd.F, cg.F, qm.F, lbfgs.F, bfgs.F, fire.F, and opt.F from vasptool to vasp source directory, and to backup the old chain.F and replaced by chain.F file ...
I'm a beginner of vasp. I have downloaded vtsttools and scripts. I have understood about copying neb.F, dynmat.F, dimer.F, lanczos.F, sd.F, cg.F, qm.F, lbfgs.F, bfgs.F, fire.F, and opt.F from vasptool to vasp source directory, and to backup the old chain.F and replaced by chain.F file ...