Using VASP

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How to calculate the free energy of isolated molecule under certain pressure

Last post by support_vasp « Thu Sep 12, 2024 7:28 am
Replies: 1
by Mingtao » Sun Mar 10, 2013 10:31 pm

1 Replies

2932 Views

Last post by support_vasp
Thu Sep 12, 2024 7:28 am
Adsorption energy with vdW-DF2 method (vasp.5.2.12)

Last post by support_vasp « Thu Sep 12, 2024 7:28 am
Replies: 1
by akuritu » Sun Jun 09, 2013 6:49 am

1 Replies

3173 Views

Last post by support_vasp
Thu Sep 12, 2024 7:28 am
WARNING: Sub-Space-Matrix is not hermitian in DAV in VASP 5.2

Last post by support_vasp « Thu Sep 12, 2024 7:28 am
Replies: 1
by SchrodingersCat » Mon Jun 18, 2012 3:36 pm

1 Replies

3722 Views

Last post by support_vasp
Thu Sep 12, 2024 7:28 am
GW calculation, energy bands compared with PBE

Last post by support_vasp « Thu Sep 12, 2024 7:28 am
Replies: 1
by hosfa » Sat Jun 08, 2013 1:34 pm

1 Replies

2733 Views

Last post by support_vasp
Thu Sep 12, 2024 7:28 am
Applying magnetic field in VASP

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by urmi » Fri Sep 06, 2013 12:55 am

1 Replies

3050 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
about full pressure

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by slava_0812 » Tue Jun 19, 2012 10:12 am

1 Replies

2755 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
A topological insulator thin film in an electric field

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by paulfons » Tue Nov 26, 2013 10:45 am

1 Replies

3559 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
Berry phase polarization calcuation with WARNNING message

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by anthony67 » Mon Nov 26, 2012 3:23 pm

1 Replies

2762 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
Are there any parameters that specify the index of bands on which to evaluate QP corrections?

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by yunhailiseu » Mon Mar 11, 2013 1:45 pm

1 Replies

2475 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
LOPTICS vs LEPSILON

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by giacomo giorgi » Tue Apr 30, 2013 12:47 am

1 Replies

2422 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
VASP compile for uniaxial tensile stress

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by againsmile » Mon Sep 09, 2013 3:32 am

1 Replies

3105 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
Q about E-fermi and HOMO

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by gyldmy » Thu Jan 24, 2013 12:09 pm

1 Replies

2553 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
time dependent jobs in vasp 5.3

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by shyam » Sat Sep 07, 2013 10:19 am

1 Replies

2619 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
header of XDATCAR in vasp4.6

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by musharaf » Tue Sep 25, 2012 7:58 am

1 Replies

2587 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
Total energy in the OUTCAR file

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by dilnaazhikodan » Mon Jul 01, 2013 1:09 pm

1 Replies

2845 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
Extend energy range in EIGENVAL files

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by 5-1051 » Tue Jul 01, 2014 5:39 pm

1 Replies

2455 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
In NEB first image slide back to initial

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by psriv » Fri Apr 17, 2015 4:48 am

1 Replies

2747 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
remove imaginary frequecy

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by charityqi » Tue Nov 18, 2014 10:00 am

1 Replies

2921 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
Pt(111) surface --- Oxygen molecule geometry optimization

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 2
by neogien » Wed Jan 03, 2007 4:29 am

2 Replies

6532 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
The problems about the structures in poscar when appling an external electric field.

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by xinhuanwen » Sun Mar 24, 2013 11:14 am

1 Replies

2701 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am

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