Using VASP

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VCAIMAGES

Last post by admin « Thu Dec 04, 2014 3:41 pm

by admin » Thu Dec 04, 2014 3:41 pm

0 Replies

1499 Views

Last post by admin
Thu Dec 04, 2014 3:41 pm
GGA+U + vdw

Last post by admin « Tue Dec 02, 2014 3:43 pm
Replies: 1
by Eduard » Thu Nov 27, 2014 3:23 pm

1 Replies

1374 Views

Last post by admin
Tue Dec 02, 2014 3:43 pm
Linear response calculation of U?

Last post by xamnidar « Tue Dec 02, 2014 1:02 am
Replies: 5
by xamnidar » Wed Nov 19, 2014 11:21 pm

5 Replies

19749 Views

Last post by xamnidar
Tue Dec 02, 2014 1:02 am
Initial magnetic moment

Last post by Leny « Thu Nov 27, 2014 6:18 pm
Replies: 4
by Leny » Wed Nov 26, 2014 1:32 am

4 Replies

3662 Views

Last post by Leny
Thu Nov 27, 2014 6:18 pm
How to get the energy of individual atoms in MD simulations

Last post by admin « Thu Nov 27, 2014 12:32 pm
Replies: 3
by fanghz » Tue Nov 25, 2014 11:08 pm

3 Replies

1624 Views

Last post by admin
Thu Nov 27, 2014 12:32 pm
Help please: constrained MD does not work

Last post by admin « Wed Nov 26, 2014 2:06 pm
Replies: 7
by 5-903 » Fri Nov 14, 2014 3:44 pm

7 Replies

4441 Views

Last post by admin
Wed Nov 26, 2014 2:06 pm
calculating elastic constants

Last post by maartendft « Wed Nov 26, 2014 6:10 am
Replies: 2
by verners » Fri Aug 08, 2014 6:03 am

2 Replies

2519 Views

Last post by maartendft
Wed Nov 26, 2014 6:10 am
Suggestions on elastic constants and structural instability

Last post by maartendft « Tue Nov 25, 2014 12:17 am
Replies: 1
by SGhosh » Fri Oct 24, 2014 9:30 am

1 Replies

1669 Views

Last post by maartendft
Tue Nov 25, 2014 12:17 am
increasing the accuracy of LOCPOT

Last post by nwan « Wed Nov 12, 2014 1:02 pm
Replies: 1
by user224 » Fri Oct 31, 2014 5:14 pm

1 Replies

1344 Views

Last post by nwan
Wed Nov 12, 2014 1:02 pm
Bulk Surface relaxation doesn't proceed

Last post by sislam « Mon Nov 10, 2014 1:10 am
Replies: 2
by sislam » Thu Nov 06, 2014 5:12 am

2 Replies

1748 Views

Last post by sislam
Mon Nov 10, 2014 1:10 am
electric SCF congergence problem on slab model

Last post by Yue-Wen Fang « Mon Nov 03, 2014 9:24 am
Replies: 3
by okuno » Tue Oct 21, 2014 10:23 am

3 Replies

2060 Views

Last post by Yue-Wen Fang
Mon Nov 03, 2014 9:24 am
Electronic scf in first ionic relaxation step not converging

Last post by leostorm10 « Sat Nov 01, 2014 8:00 am

by leostorm10 » Sat Nov 01, 2014 8:00 am

0 Replies

1119 Views

Last post by leostorm10
Sat Nov 01, 2014 8:00 am
CdSe surface calculations

Last post by zzhlax « Thu Oct 30, 2014 12:48 pm
Replies: 1
by glab » Wed Oct 29, 2014 11:49 pm

1 Replies

1565 Views

Last post by zzhlax
Thu Oct 30, 2014 12:48 pm
Van der Waals matrix elements

Last post by anton « Wed Oct 29, 2014 1:05 pm
Replies: 1
by anton » Wed Sep 17, 2014 5:36 pm

1 Replies

1089 Views

Last post by anton
Wed Oct 29, 2014 1:05 pm
Finding Lattice vectors for POSCAR File

Last post by admin « Tue Oct 21, 2014 9:31 am
Replies: 1
by Iyyapparajan » Mon Oct 20, 2014 2:12 pm

1 Replies

1146 Views

Last post by admin
Tue Oct 21, 2014 9:31 am
INCAR file for vdW-DF and vdW-DF2 methods

Last post by aofphy « Thu Oct 16, 2014 6:07 pm
Replies: 1
by nykondalu » Thu Oct 16, 2014 8:38 am

1 Replies

2909 Views

Last post by aofphy
Thu Oct 16, 2014 6:07 pm
Nudged elastic band calculation..

Last post by lunatic « Thu Oct 16, 2014 4:40 pm
Replies: 1
by cyc99 » Thu Aug 28, 2014 9:07 am

1 Replies

1891 Views

Last post by lunatic
Thu Oct 16, 2014 4:40 pm
Direct co-ordinates for HCP lattice

Last post by lunatic « Thu Oct 16, 2014 4:21 pm
Replies: 1
by karthik112490 » Sun Oct 05, 2014 5:48 am

1 Replies

1219 Views

Last post by lunatic
Thu Oct 16, 2014 4:21 pm
calculation of DOS for antiferromagnetic Fe2O3

Last post by zzhlax « Sat Oct 11, 2014 1:20 pm
Replies: 4
by zzhlax » Fri Sep 05, 2014 3:14 am

4 Replies

4510 Views

Last post by zzhlax
Sat Oct 11, 2014 1:20 pm
determine the space grouup of optimised structure from contcar file

Last post by kalpna « Fri Oct 10, 2014 9:03 am
Replies: 4
by kalpna » Thu Jun 05, 2014 2:43 pm

4 Replies

2834 Views

Last post by kalpna
Fri Oct 10, 2014 9:03 am

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