Using VASP

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sign of wavefunction at gamma point

Last post by support_vasp « Thu Sep 12, 2024 7:29 am
Replies: 1
by xamnidar » Sat Mar 09, 2013 9:55 pm

1 Replies

902 Views

Last post by support_vasp
Thu Sep 12, 2024 7:29 am
Free atom electronic convergence with MetaGGA

Last post by support_vasp « Thu Sep 12, 2024 7:29 am
Replies: 1
by mbkumar » Fri Feb 21, 2014 12:23 am

1 Replies

986 Views

Last post by support_vasp
Thu Sep 12, 2024 7:29 am
DOS and RWIGS

Last post by support_vasp « Thu Sep 12, 2024 7:28 am
Replies: 1
by apple » Wed Aug 01, 2012 9:02 pm

1 Replies

999 Views

Last post by support_vasp
Thu Sep 12, 2024 7:28 am
The convergence is reached, but the calculation still goes on

Last post by support_vasp « Thu Sep 12, 2024 7:28 am
Replies: 1
by anoop » Thu Feb 20, 2014 6:31 pm

1 Replies

978 Views

Last post by support_vasp
Thu Sep 12, 2024 7:28 am
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

1062 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

1621 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

1762 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

1051 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

1444 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

991 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

1651 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

1132 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

865 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

968 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

1409 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

914 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

1050 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

988 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

1141 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

937 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am

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