Using VASP

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hybrid functionals and core level shift calculations

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by gonneyeats » Sat Jun 16, 2012 5:35 am

1 Replies

977 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
Optical transition matrix elements

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by zhu » Wed Sep 19, 2012 3:42 am

1 Replies

1431 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
Long range corrected LDA

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by captaincook » Mon Nov 12, 2012 6:57 am

1 Replies

850 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
calculating unit cell Dipole moments

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by ssi » Wed Mar 06, 2013 3:46 am

1 Replies

1004 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
NBANDSGWLOW problem

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by ntuxi » Sun Sep 21, 2014 3:45 pm

1 Replies

1099 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
The effect of pressure on the crystal structure

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by kambiz » Fri Sep 19, 2014 8:07 am

1 Replies

1087 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am
Identical sites-atoms in POSCAR?

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by kayahan » Wed Apr 24, 2013 3:58 pm

1 Replies

1020 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am
Plotting Bloch States

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by an5989 » Fri Jun 06, 2014 9:06 pm

1 Replies

1050 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am
LDIPOL and IDIPOL

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by kmkumar » Mon Sep 12, 2011 4:15 pm

1 Replies

2326 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am
spd of bands

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by mahasinalam » Wed Sep 19, 2012 6:14 am

1 Replies

902 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am
band decomposed charge density at two k-points

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by dong913 » Mon Nov 12, 2012 6:29 pm

1 Replies

1454 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
PARCHG for spin down system

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by shruba_vasp » Tue Sep 13, 2011 1:45 am

1 Replies

1419 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
Total Energy

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by autieri » Wed Sep 19, 2012 10:00 am

1 Replies

803 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
bandstructure Problem

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by jyoti » Sat Aug 02, 2014 4:50 am

1 Replies

927 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
how to wrap atoms

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by nasridine » Sun Aug 05, 2012 6:21 am

1 Replies

969 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
Quenching rate in MD

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by rabi » Mon Nov 12, 2012 7:15 pm

1 Replies

1311 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
How to calculate the average voltage from the VASP simulation results such as total energy, etc?

Last post by support_vasp « Thu Sep 12, 2024 7:37 am
Replies: 1
by bkkim60 » Tue Sep 03, 2013 10:01 am

1 Replies

1245 Views

Last post by support_vasp
Thu Sep 12, 2024 7:37 am
vdW correction energy

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by mcandg03 » Wed Nov 09, 2011 11:33 pm

1 Replies

1064 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
understanding the PROCAR file

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by gjenness » Wed Sep 19, 2012 6:10 pm

1 Replies

1992 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
GW calculation- ALGO=exact

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by monazam » Fri Aug 02, 2013 6:20 pm

1 Replies

1219 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am

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