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average potential at core in vasprun

Last post by Emmanuel « Wed Jul 20, 2016 1:07 pm
Replies: 2
by Emmanuel » Wed Jul 13, 2016 3:27 pm

2 Replies

4539 Views

Last post by Emmanuel
Wed Jul 20, 2016 1:07 pm
Can't activate Van Der Waals calculation in 5.4.1

Last post by admin « Wed Jul 13, 2016 10:24 am
Replies: 1
by chelman » Thu Jun 30, 2016 9:51 pm

1 Replies

4690 Views

Last post by admin
Wed Jul 13, 2016 10:24 am
deepest layers comes on top of surface after vacuum space

Last post by tfrankcombe « Wed Jul 13, 2016 4:25 am
Replies: 3
by venkatramana » Fri Jun 24, 2016 8:42 am

3 Replies

5387 Views

Last post by tfrankcombe
Wed Jul 13, 2016 4:25 am
VASP_POSCAR_File

Last post by admin « Mon Jul 11, 2016 10:22 am
Replies: 1
by vj181 » Sun Jul 10, 2016 4:15 am

1 Replies

3629 Views

Last post by admin
Mon Jul 11, 2016 10:22 am
Unphysical value of DOS : EMIN, EMAX, NEDOS

Last post by jnokelai « Mon Jun 27, 2016 3:05 pm
Replies: 1
by deepashri » Mon Jun 27, 2016 12:04 pm

1 Replies

5515 Views

Last post by jnokelai
Mon Jun 27, 2016 3:05 pm
During ionic relaxation, energy jumps dramatically

Last post by sjtuzhanglei « Mon Jun 13, 2016 4:33 pm
Replies: 2
by sjtuzhanglei » Sat Jun 11, 2016 10:44 pm

2 Replies

4951 Views

Last post by sjtuzhanglei
Mon Jun 13, 2016 4:33 pm
BUG in DOS calculation and vasprun.xml wrinting

Last post by admin « Fri Jun 10, 2016 9:30 am
Replies: 1
by pmignon » Thu Jun 09, 2016 4:47 pm

1 Replies

3881 Views

Last post by admin
Fri Jun 10, 2016 9:30 am
Pseudopotential of Nd and Sm

Last post by admin « Thu Jun 02, 2016 1:42 pm
Replies: 3
by aina2412 » Tue May 31, 2016 11:46 am

3 Replies

5981 Views

Last post by admin
Thu Jun 02, 2016 1:42 pm
Correct use of POTCAR files

Last post by mikhail « Wed Jun 01, 2016 12:02 pm
Replies: 2
by mikhail » Mon May 30, 2016 2:58 pm

2 Replies

11577 Views

Last post by mikhail
Wed Jun 01, 2016 12:02 pm
How to get total walltime if the calculation is not finished

Last post by Neutrino « Fri May 20, 2016 2:24 am
Replies: 1
by sjtuzhanglei » Wed May 18, 2016 6:25 pm

1 Replies

5161 Views

Last post by Neutrino
Fri May 20, 2016 2:24 am
Bugs with pointers in structures

Last post by admin « Mon May 02, 2016 1:10 pm
Replies: 1
by tfrankcombe » Mon May 02, 2016 4:09 am

1 Replies

3885 Views

Last post by admin
Mon May 02, 2016 1:10 pm
DFT+U periodicity-very confused results

Last post by jbliu « Fri Apr 29, 2016 12:38 pm
Replies: 2
by jbliu » Tue Apr 26, 2016 1:15 pm

2 Replies

5017 Views

Last post by jbliu
Fri Apr 29, 2016 12:38 pm
Having a problem running a job - files stop updating

Last post by admin « Tue Apr 26, 2016 9:48 am
Replies: 1
by a1k2112 » Fri Feb 26, 2016 9:17 pm

1 Replies

4821 Views

Last post by admin
Tue Apr 26, 2016 9:48 am
Lattice-Dependant SIGSEV

Last post by admin « Tue Apr 26, 2016 9:41 am
Replies: 1
by doylead » Fri Mar 18, 2016 12:13 am

1 Replies

4333 Views

Last post by admin
Tue Apr 26, 2016 9:41 am
very serious problems the old and the new charge density di

Last post by admin « Tue Apr 26, 2016 9:37 am
Replies: 1
by ravi3 » Wed Apr 06, 2016 4:48 pm

1 Replies

5870 Views

Last post by admin
Tue Apr 26, 2016 9:37 am
Symmetry detection, VASP 5.3.5

Last post by admin « Tue Apr 19, 2016 11:05 am
Replies: 1
by dholec » Mon Apr 18, 2016 11:50 am

1 Replies

4428 Views

Last post by admin
Tue Apr 19, 2016 11:05 am
Out of bounds in fft3dfurth

Last post by tfrankcombe « Wed Apr 13, 2016 2:57 am
Replies: 3
by tfrankcombe » Tue Apr 12, 2016 8:45 am

3 Replies

8674 Views

Last post by tfrankcombe
Wed Apr 13, 2016 2:57 am
Segmentation fault

Last post by admin « Tue Apr 12, 2016 1:10 pm
Replies: 1
by ramieor » Wed Apr 06, 2016 11:08 am

1 Replies

6406 Views

Last post by admin
Tue Apr 12, 2016 1:10 pm
DFT+U periodicity (very confused results)

Last post by jbliu « Thu Apr 07, 2016 9:31 am
Replies: 9
by jbliu » Thu Mar 31, 2016 8:51 am

9 Replies

10159 Views

Last post by jbliu
Thu Apr 07, 2016 9:31 am
Errors generated in Running VASP

Last post by admin « Tue Apr 05, 2016 11:23 am
Replies: 1
by rahulsn » Mon Jan 11, 2016 12:29 am

1 Replies

4368 Views

Last post by admin
Tue Apr 05, 2016 11:23 am

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