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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

6405 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

5328 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

7739 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

14248 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

6628 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

5146 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

6700 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

6325 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

5556 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

7359 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

5876 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

10360 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

8247 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

14081 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

5859 Views

Last post by admin
Tue Apr 05, 2016 11:23 am
Ionic coordinates are larger than the cell size

Last post by ArtKa « Mon Mar 28, 2016 10:30 am
Replies: 1
by ArtKa » Thu Feb 25, 2016 4:04 pm

1 Replies

6396 Views

Last post by ArtKa
Mon Mar 28, 2016 10:30 am
HSE + SOC in VASP

Last post by admin « Thu Mar 24, 2016 4:14 pm
Replies: 1
by tnmydas » Wed Mar 23, 2016 12:49 pm

1 Replies

6119 Views

Last post by admin
Thu Mar 24, 2016 4:14 pm
VASP5.4.1 SLOW SPEED with intel compiler 14~ and OpenMPI

Last post by admin « Thu Mar 17, 2016 12:41 pm
Replies: 2
by hiromasa » Thu Jan 14, 2016 6:28 am

2 Replies

7037 Views

Last post by admin
Thu Mar 17, 2016 12:41 pm
Large error in changing from Low to Accurate precision

Last post by hess8 « Fri Mar 04, 2016 8:36 pm
Replies: 3
by hess8 » Fri Mar 04, 2016 3:13 am

3 Replies

6949 Views

Last post by hess8
Fri Mar 04, 2016 8:36 pm
VERY BAD NEWS! Internal error in subroutine SGRGEN

Last post by aina2412 « Tue Feb 23, 2016 6:44 am
Replies: 5
by aina2412 » Wed Nov 04, 2015 4:55 pm

5 Replies

13728 Views

Last post by aina2412
Tue Feb 23, 2016 6:44 am

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