Using VASP

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Cell volume optimization for magnetic structure

Last post by admin « Thu Oct 15, 2015 12:08 pm
Replies: 6
by lysogors » Fri Oct 09, 2015 7:47 pm

6 Replies

4128 Views

Last post by admin
Thu Oct 15, 2015 12:08 pm
How I select specific plane and specific direction on POSCAR

Last post by Neutrino « Tue Oct 13, 2015 10:51 pm
Replies: 1
by BERNA AKGENC » Mon Oct 12, 2015 3:28 am

1 Replies

1661 Views

Last post by Neutrino
Tue Oct 13, 2015 10:51 pm
Response Function Output format

Last post by Malediction « Thu Oct 01, 2015 3:32 am
Replies: 1
by Malediction » Mon Sep 07, 2015 8:53 am

1 Replies

1271 Views

Last post by Malediction
Thu Oct 01, 2015 3:32 am
pH dependency of surface energy

Last post by admin « Tue Sep 22, 2015 1:03 pm
Replies: 1
by szvasp » Thu Sep 17, 2015 6:16 pm

1 Replies

1714 Views

Last post by admin
Tue Sep 22, 2015 1:03 pm
DOS mismatched with ICHARG=1 and ICHARG=11 calculations

Last post by admin « Tue Sep 22, 2015 11:14 am
Replies: 1
by carhorse » Mon Sep 21, 2015 4:20 pm

1 Replies

1503 Views

Last post by admin
Tue Sep 22, 2015 11:14 am
Question regarding p-n junction DOS

Last post by Neutrino « Wed Sep 16, 2015 11:24 pm
Replies: 1
by prasenjit » Sun Sep 06, 2015 11:05 am

1 Replies

1343 Views

Last post by Neutrino
Wed Sep 16, 2015 11:24 pm
writing CHGCAR

Last post by admin « Wed Sep 16, 2015 10:57 am
Replies: 1
by rajeshc » Wed Sep 16, 2015 9:04 am

1 Replies

1278 Views

Last post by admin
Wed Sep 16, 2015 10:57 am
Calculating the dipole moment as a function of time

Last post by admin « Tue Sep 15, 2015 12:45 pm
Replies: 1
by Samin.2 » Tue Sep 08, 2015 5:37 pm

1 Replies

1545 Views

Last post by admin
Tue Sep 15, 2015 12:45 pm
questions about POTCAR

Last post by admin « Tue Sep 15, 2015 12:39 pm
Replies: 1
by luke419 » Mon Sep 07, 2015 4:31 am

1 Replies

1519 Views

Last post by admin
Tue Sep 15, 2015 12:39 pm
How can I calculate the spin exchange interaction parameters

Last post by szvasp « Mon Sep 14, 2015 11:26 am
Replies: 1
by MamonovaMV » Fri Sep 11, 2015 1:44 pm

1 Replies

3427 Views

Last post by szvasp
Mon Sep 14, 2015 11:26 am
Total energies from charged slabs

Last post by alex « Fri Sep 04, 2015 10:21 am
Replies: 3
by hat343 » Wed Aug 26, 2015 1:32 am

3 Replies

3863 Views

Last post by alex
Fri Sep 04, 2015 10:21 am
The self energy of the total system

Last post by wvno2 « Thu Sep 03, 2015 2:19 pm
Replies: 2
by wvno2 » Wed Sep 02, 2015 10:31 pm

2 Replies

1421 Views

Last post by wvno2
Thu Sep 03, 2015 2:19 pm
Comparison of NEB calculation durations

Last post by admin « Thu Sep 03, 2015 9:07 am
Replies: 5
by ArtKa » Mon Aug 31, 2015 2:16 pm

5 Replies

2985 Views

Last post by admin
Thu Sep 03, 2015 9:07 am
Convergence criteria for stress?

Last post by xamnidar « Wed Sep 02, 2015 11:32 pm
Replies: 1
by xamnidar » Thu Dec 18, 2014 2:20 am

1 Replies

2290 Views

Last post by xamnidar
Wed Sep 02, 2015 11:32 pm
SC steps converging with Zn but not Cu in supercell

Last post by admin « Tue Aug 25, 2015 10:12 am
Replies: 3
by hubertc » Sat Aug 22, 2015 12:20 am

3 Replies

1656 Views

Last post by admin
Tue Aug 25, 2015 10:12 am
NEDOS and Spin

Last post by admin « Fri Aug 21, 2015 3:41 pm
Replies: 1
by aina2412 » Thu Aug 13, 2015 2:01 pm

1 Replies

1378 Views

Last post by admin
Fri Aug 21, 2015 3:41 pm
D2 Correction

Last post by kelum « Fri Aug 21, 2015 12:36 pm
Replies: 1
by compu_nano » Fri Aug 21, 2015 8:13 am

1 Replies

2029 Views

Last post by kelum
Fri Aug 21, 2015 12:36 pm
DOS between two energy levels

Last post by Neutrino « Thu Jul 30, 2015 11:09 pm
Replies: 1
by karthik1124 » Tue Jul 28, 2015 2:45 am

1 Replies

1610 Views

Last post by Neutrino
Thu Jul 30, 2015 11:09 pm
band structure calculation

Last post by admin « Tue Jul 28, 2015 2:40 pm
Replies: 1
by luke419 » Thu Jul 16, 2015 3:44 am

1 Replies

2005 Views

Last post by admin
Tue Jul 28, 2015 2:40 pm
EXX energy dependence on Vacuum layer/k-points

Last post by juhL « Mon Jul 27, 2015 8:27 pm
Replies: 2
by juhL » Thu Jul 23, 2015 9:57 am

2 Replies

1512 Views

Last post by juhL
Mon Jul 27, 2015 8:27 pm

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