Using VASP

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Strange behavior of vdW-DF calculation

Last post by support_vasp « Thu Sep 12, 2024 7:32 am
Replies: 1
by byhill » Fri Apr 20, 2012 3:51 pm

1 Replies

932 Views

Last post by support_vasp
Thu Sep 12, 2024 7:32 am
Smearing method-Tetrahedron method with bloechl corrections for metallic systems

Last post by support_vasp « Thu Sep 12, 2024 7:31 am
Replies: 1
by biswaranjandash » Fri Sep 16, 2011 4:10 am

1 Replies

1203 Views

Last post by support_vasp
Thu Sep 12, 2024 7:31 am
missing POTCARs

Last post by support_vasp « Thu Sep 12, 2024 7:31 am
Replies: 1
by uschmidt » Fri Apr 26, 2013 10:46 am

1 Replies

1031 Views

Last post by support_vasp
Thu Sep 12, 2024 7:31 am
Bond order

Last post by support_vasp « Thu Sep 12, 2024 7:31 am
Replies: 1
by kambiz » Sat Apr 21, 2012 9:14 am

1 Replies

1570 Views

Last post by support_vasp
Thu Sep 12, 2024 7:31 am
A question of physics - LOPTICS vs LEPSILON

Last post by support_vasp « Thu Sep 12, 2024 7:31 am
Replies: 1
by giacomo giorgi » Fri Mar 08, 2013 5:06 pm

1 Replies

984 Views

Last post by support_vasp
Thu Sep 12, 2024 7:31 am
Charge density

Last post by support_vasp « Thu Sep 12, 2024 7:30 am
Replies: 1
by gawhanedhiraj » Fri Jun 07, 2013 1:53 pm

1 Replies

914 Views

Last post by support_vasp
Thu Sep 12, 2024 7:30 am
LWAVE LCHARG tag

Last post by support_vasp « Thu Sep 12, 2024 7:30 am
Replies: 1
by sagarinphysics » Sat Jan 04, 2014 10:00 am

1 Replies

1086 Views

Last post by support_vasp
Thu Sep 12, 2024 7:30 am
number of occupied bands

Last post by support_vasp « Thu Sep 12, 2024 7:30 am
Replies: 1
by nkxirainbow » Fri Nov 11, 2011 1:00 pm

1 Replies

1295 Views

Last post by support_vasp
Thu Sep 12, 2024 7:30 am
DFT D3

Last post by support_vasp « Thu Sep 12, 2024 7:30 am
Replies: 1
by pfleura2 » Tue Aug 06, 2013 4:14 pm

1 Replies

1229 Views

Last post by support_vasp
Thu Sep 12, 2024 7:30 am
H passivation

Last post by support_vasp « Thu Sep 12, 2024 7:29 am
Replies: 1
by apple » Tue Apr 24, 2012 5:50 pm

1 Replies

1023 Views

Last post by support_vasp
Thu Sep 12, 2024 7:29 am
constant volume heat capacity

Last post by support_vasp « Thu Sep 12, 2024 7:29 am
Replies: 1
by rwixom » Fri Nov 16, 2012 5:55 am

1 Replies

1367 Views

Last post by support_vasp
Thu Sep 12, 2024 7:29 am
How to specify magnetic moments for Ferro and Ferri magnetic systems

Last post by support_vasp « Thu Sep 12, 2024 7:29 am
Replies: 1
by naresh124 » Sun Sep 23, 2012 12:38 pm

1 Replies

858 Views

Last post by support_vasp
Thu Sep 12, 2024 7:29 am
N CORELEVELS VASP ERROR

Last post by support_vasp « Thu Sep 12, 2024 7:29 am
Replies: 1
by blair_tuttle » Tue Aug 06, 2013 8:37 pm

1 Replies

921 Views

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

930 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

1011 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

1013 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

995 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

1084 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

1630 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

1778 Views

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

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