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position of ions in OUTCAR not consistent with POSCAR

Last post by Yuting « Wed Dec 29, 2010 9:35 pm
Replies: 2
by Yuting » Wed Dec 29, 2010 6:04 pm

2 Replies

4158 Views

Last post by Yuting
Wed Dec 29, 2010 9:35 pm
running VASP example error

Last post by Gu Chenjie « Wed Dec 29, 2010 7:30 am
Replies: 1
by Gu Chenjie » Wed Dec 29, 2010 6:53 am

1 Replies

3380 Views

Last post by Gu Chenjie
Wed Dec 29, 2010 7:30 am
Ni(100) relaxation will not run.

Last post by admin « Wed Dec 22, 2010 12:27 pm
Replies: 2
by DMiller » Fri Dec 10, 2010 2:28 pm

2 Replies

2491 Views

Last post by admin
Wed Dec 22, 2010 12:27 pm
Erbium pseudopotential

Last post by alex « Tue Dec 14, 2010 3:10 pm
Replies: 4
by talgat » Tue Dec 14, 2010 1:07 pm

4 Replies

3543 Views

Last post by alex
Tue Dec 14, 2010 3:10 pm
energy difference of the elastic constant calculation

Last post by alex « Mon Dec 06, 2010 10:42 am
Replies: 1
by vasp2010 » Mon Dec 06, 2010 7:06 am

1 Replies

2784 Views

Last post by alex
Mon Dec 06, 2010 10:42 am
pmii_daemon(SIGCHLD) Error

Last post by jlbettis « Thu Dec 02, 2010 8:11 pm
Replies: 1
by marinok » Tue Apr 21, 2009 8:22 pm

1 Replies

2737 Views

Last post by jlbettis
Thu Dec 02, 2010 8:11 pm
Calculation Not Converging

Last post by boris « Fri Nov 26, 2010 5:23 pm
Replies: 1
by kmkumar » Fri Nov 26, 2010 11:33 am

1 Replies

3682 Views

Last post by boris
Fri Nov 26, 2010 5:23 pm
Macroscopic polarization OUTCAR

Last post by happyer225 « Tue Nov 23, 2010 1:12 am
Replies: 2
by ynwu » Mon Aug 02, 2010 9:17 pm

2 Replies

3253 Views

Last post by happyer225
Tue Nov 23, 2010 1:12 am
Grimme van der Waals

Last post by yuxiao_zihan « Sun Nov 21, 2010 12:57 am
Replies: 6
by Lilia Woods » Mon Aug 23, 2010 4:09 pm

6 Replies

5373 Views

Last post by yuxiao_zihan
Sun Nov 21, 2010 12:57 am
NEB image ending up at end points

Last post by alex « Wed Nov 17, 2010 12:30 pm
Replies: 3
by esag » Tue Nov 16, 2010 10:23 pm

3 Replies

3089 Views

Last post by alex
Wed Nov 17, 2010 12:30 pm
vasp.5.2.2 - WARNING in EDDRMM: call to ZHEGV failed

Last post by fish « Thu Nov 11, 2010 11:08 pm
Replies: 6
by bademoor » Wed Sep 02, 2009 1:17 pm

6 Replies

10219 Views

Last post by fish
Thu Nov 11, 2010 11:08 pm
Judging insulating when using HSE06 functional

Last post by ynwu « Wed Nov 03, 2010 7:29 pm
Replies: 2
by ynwu » Thu Aug 12, 2010 9:23 pm

2 Replies

3186 Views

Last post by ynwu
Wed Nov 03, 2010 7:29 pm
vasp error

Last post by admin « Wed Nov 03, 2010 9:21 am
Replies: 1
by hannathamleena » Thu Oct 21, 2010 8:17 am

1 Replies

2015 Views

Last post by admin
Wed Nov 03, 2010 9:21 am
BRMIX: very serious problems the old and the new charge density differ old charge density

Last post by alex « Wed Nov 03, 2010 8:06 am
Replies: 4
by cajuan@criba.edu.ar » Thu Sep 02, 2010 8:36 pm

4 Replies

11398 Views

Last post by alex
Wed Nov 03, 2010 8:06 am
simulating stm tip

Last post by admin « Tue Nov 02, 2010 2:16 pm
Replies: 1
by hannathamleena » Wed Oct 06, 2010 3:48 am

1 Replies

2134 Views

Last post by admin
Tue Nov 02, 2010 2:16 pm
Atoms not counted in during calculation -

Last post by admin « Fri Oct 29, 2010 11:26 am
Replies: 1
by muthukumar2k3 » Tue Aug 31, 2010 2:35 pm

1 Replies

1873 Views

Last post by admin
Fri Oct 29, 2010 11:26 am
Bug in vdwforcefield.F

Last post by admin « Fri Oct 29, 2010 11:25 am
Replies: 1
by msd30 » Wed Sep 08, 2010 12:13 pm

1 Replies

2816 Views

Last post by admin
Fri Oct 29, 2010 11:25 am
Error in k-point sampling in G0W0 Calculations

Last post by admin « Fri Oct 29, 2010 11:22 am
Replies: 2
by ZachTexas » Mon Sep 20, 2010 6:00 pm

2 Replies

3644 Views

Last post by admin
Fri Oct 29, 2010 11:22 am
Strange problem with ISIF=3 and VASP 5.2

Last post by CStar « Tue Oct 19, 2010 12:34 pm
Replies: 2
by CStar » Mon Oct 18, 2010 6:19 pm

2 Replies

2965 Views

Last post by CStar
Tue Oct 19, 2010 12:34 pm
bandstructure of pyrochlores

Last post by vasp2010 « Tue Oct 19, 2010 8:06 am
Replies: 2
by vasp2010 » Mon Oct 18, 2010 3:24 pm

2 Replies

2967 Views

Last post by vasp2010
Tue Oct 19, 2010 8:06 am

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