Search found 6 matches
- Tue Apr 17, 2007 9:42 am
- Forum: VTSTTools
- Topic: differences in ionic calculation
- Replies: 1
- Views: 9624
differences in ionic calculation
Hi all, recently i performed NEB and the result was the energy was different at the end of calculation. i copy last 2 steps : ========================== DAV: 26 -0.424675102022E+03 0.25165E-03 -0.42306E-04 492 0.138E-01 0.623E-02 DAV: 27 -0.424675046867E+03 0.55155E-04 -0.78678E-05 356 0.542E-02 1 F ...
- Mon Apr 16, 2007 11:03 am
- Forum: VTSTTools
- Topic: compile vasp with new neb code
- Replies: 5
- Views: 19484
- Thu Apr 12, 2007 1:08 pm
- Forum: VTSTTools
- Topic: compile vasp with new neb code
- Replies: 5
- Views: 19484
- Wed Apr 11, 2007 1:22 pm
- Forum: VTSTTools
- Topic: compile vasp with new neb code
- Replies: 5
- Views: 19484
compile vasp with new neb code
Hi all,
our group has compiled new Henkelman code to our vasp 4.6.26.
the result, new vasp has lower size in byte. from the original version around 20 Mbyte then it became only around 3 MByte.
is it normal?
thanks.
our group has compiled new Henkelman code to our vasp 4.6.26.
the result, new vasp has lower size in byte. from the original version around 20 Mbyte then it became only around 3 MByte.
is it normal?
thanks.
- Mon Mar 26, 2007 6:40 pm
- Forum: VTSTTools
- Topic: check NEB in VASP
- Replies: 3
- Views: 15475
- Mon Mar 26, 2007 2:59 pm
- Forum: VTSTTools
- Topic: check NEB in VASP
- Replies: 3
- Views: 15475
check NEB in VASP
hi everyone,
i would like to know how to check if my version of VASP has included the code from Henkelman group, and from which directory i can check it.
thanks,
Boy
i would like to know how to check if my version of VASP has included the code from Henkelman group, and from which directory i can check it.
thanks,
Boy