Search found 4 matches

by KalpajyotiDihingia
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
by KalpajyotiDihingia
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
by KalpajyotiDihingia
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 ...
by KalpajyotiDihingia
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 ...