Using VASP

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band edge alignment

Last post by support_vasp « Thu Sep 12, 2024 7:45 am
Replies: 1
by giacomo giorgi » Thu Nov 21, 2013 5:10 am

1 Replies

4210 Views

Last post by support_vasp
Thu Sep 12, 2024 7:45 am
components of the stress tensor

Last post by support_vasp « Thu Sep 12, 2024 7:45 am
Replies: 1
by dholec » Thu Nov 27, 2014 3:54 pm

1 Replies

4102 Views

Last post by support_vasp
Thu Sep 12, 2024 7:45 am
An error with ab initio md with vasp

Last post by support_vasp « Thu Sep 12, 2024 7:45 am
Replies: 1
by lanjh » Fri Feb 06, 2015 11:05 am

1 Replies

3182 Views

Last post by support_vasp
Thu Sep 12, 2024 7:45 am
SIGMA value for metals in ACFDT-RPA calculations

Last post by support_vasp « Thu Sep 12, 2024 7:45 am
Replies: 1
by huangj3 » Thu Feb 05, 2015 12:14 am

1 Replies

3321 Views

Last post by support_vasp
Thu Sep 12, 2024 7:45 am
DFT conbination with DFT+U

Last post by support_vasp « Thu Sep 12, 2024 7:45 am
Replies: 1
by ccccc » Wed Jan 21, 2015 10:08 am

1 Replies

3278 Views

Last post by support_vasp
Thu Sep 12, 2024 7:45 am
Hubbard model

Last post by support_vasp « Thu Sep 12, 2024 7:45 am
Replies: 1
by szvasp » Thu Nov 27, 2014 1:18 am

1 Replies

3539 Views

Last post by support_vasp
Thu Sep 12, 2024 7:45 am
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

3313 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

3655 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

2805 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

3053 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

2867 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

3525 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

3028 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

4414 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

3109 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

3112 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

2912 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

3134 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

3163 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

3473 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am

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