Using VASP

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Core level calculation

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by gVallverdu » Tue Jan 20, 2015 11:02 am

1 Replies

1199 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
static dielectric tensor ionic contribution and epsilon_o

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by Sokseiha » Thu Jan 08, 2015 6:21 pm

1 Replies

1388 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
Decomposed total energy/potential

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by LeighWeston » Wed Jan 07, 2015 5:37 am

1 Replies

981 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
Obtaining DOS and CHGCAR in relaxation run

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by jcconesa » Fri Nov 09, 2012 5:21 pm

1 Replies

1149 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
ase

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by jyoti » Tue Oct 22, 2013 12:55 pm

1 Replies

1076 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
error in HSE calculation

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by sudeep » Wed Nov 09, 2011 10:45 am

1 Replies

1320 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
Optimizing a structure at a fix temperature

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by shyam » Thu Jun 05, 2014 2:52 pm

1 Replies

1046 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Occupancies and eigenvectors - LDAUPRINT = 2 or 1

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by szvasp » Thu Nov 27, 2014 12:56 am

1 Replies

2205 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Configuration Interaction approach for optical absorption

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by leegeunsik » Wed Nov 12, 2014 4:21 pm

1 Replies

1198 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Anyone knows where to get a manual for the newest vasp.5.3?

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by felixvasp » Mon Sep 17, 2012 5:23 am

1 Replies

982 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
3d bandstrucutre

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by hat » Sun Jun 15, 2014 10:52 am

1 Replies

913 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Which pseudopotential/functional for elastic constants?

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by Holotype » Tue Aug 07, 2012 5:36 pm

1 Replies

1029 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
The occupation number

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by fpmarcillo » Wed Feb 12, 2014 5:08 pm

1 Replies

1015 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
vibrational density of states

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by muthukumar2k3 » Fri Jan 06, 2012 12:35 pm

1 Replies

1358 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
Lost atom in NEB calculation

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by thomasd » Tue Oct 22, 2013 7:17 pm

1 Replies

930 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
not reaching the accuracy

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by Leny » Sun Oct 26, 2014 9:29 am

1 Replies

1109 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
calculating band structure of graphne

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by d7cf88 » Thu Jul 26, 2012 9:11 am

1 Replies

1330 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
Apply an external force to a group of atoms?

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by nickFan » Fri Nov 09, 2012 9:23 pm

1 Replies

1092 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
Lattice vectors for rhombohedral unit cell of BiFeO3

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by Iyyapparajan » Mon Oct 27, 2014 10:05 am

1 Replies

1794 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
the total energy of homogeneous electron gas

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by yuhaoli » Wed Apr 24, 2013 12:04 pm

1 Replies

1221 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am

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