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Incorrect energy value in vasprun.xml

Last post by martin.schlipf « Mon Jan 27, 2020 11:12 am
Replies: 2
by ehermes » Thu Jul 02, 2015 9:27 pm

2 Replies

10388 Views

Last post by martin.schlipf
Mon Jan 27, 2020 11:12 am
Uncertain free energy in noncollinear calculation

Last post by martin.schlipf « Thu Jan 23, 2020 9:15 am
Replies: 1
by rolando_saniz1 » Wed Jan 22, 2020 2:40 pm

1 Replies

6823 Views

Last post by martin.schlipf
Thu Jan 23, 2020 9:15 am
Output bug in vasprun.xml with Xe

Last post by martin.schlipf « Thu Jan 23, 2020 8:42 am
Replies: 1
by melissa_hines » Mon Jan 13, 2020 6:15 pm

1 Replies

6472 Views

Last post by martin.schlipf
Thu Jan 23, 2020 8:42 am
error with continuum solvent model

Last post by martin.schlipf « Fri Nov 15, 2019 9:10 am
Replies: 1
by morteza » Thu Nov 14, 2019 5:03 am

1 Replies

7331 Views

Last post by martin.schlipf
Fri Nov 15, 2019 9:10 am
VASP Site Migration

Last post by martin.schlipf « Mon Nov 11, 2019 1:03 pm

by martin.schlipf » Mon Nov 11, 2019 1:03 pm

0 Replies

5861 Views

Last post by martin.schlipf
Mon Nov 11, 2019 1:03 pm
Bug in wave.F if PGI16 not defined (5.4.4)

Last post by merzuk.kaltak « Wed Sep 18, 2019 9:50 am
Replies: 1
by ehermes » Mon Aug 14, 2017 7:04 pm

1 Replies

8796 Views

Last post by merzuk.kaltak
Wed Sep 18, 2019 9:50 am
Grimme D3 size limit?

Last post by alex « Tue Jul 02, 2019 8:57 am
Replies: 1
by hfruchtl » Mon Jul 01, 2019 3:09 pm

1 Replies

7060 Views

Last post by alex
Tue Jul 02, 2019 8:57 am
SCF does not converge for ZnO slab

Last post by admin « Mon May 20, 2019 8:37 am
Replies: 1
by donniedarko » Thu May 16, 2019 7:29 am

1 Replies

8340 Views

Last post by admin
Mon May 20, 2019 8:37 am
Same input give different output- transition metal surface

Last post by zhouych « Thu Apr 25, 2019 2:44 pm
Replies: 1
by zhouych » Tue Apr 09, 2019 9:13 am

1 Replies

7715 Views

Last post by zhouych
Thu Apr 25, 2019 2:44 pm
epsilon_diag missing

Last post by admin « Thu Apr 25, 2019 8:29 am
Replies: 1
by acohen3 » Wed Apr 24, 2019 11:06 pm

1 Replies

9008 Views

Last post by admin
Thu Apr 25, 2019 8:29 am
Comments in INCAR

Last post by samuel.mathews « Wed Jan 30, 2019 6:13 pm
Replies: 2
by samuel.mathews » Tue Nov 13, 2018 3:35 pm

2 Replies

9957 Views

Last post by samuel.mathews
Wed Jan 30, 2019 6:13 pm
Strange magnetization and localization values

Last post by admin « Mon Jan 28, 2019 10:46 am
Replies: 1
by deak » Thu Dec 06, 2018 2:31 pm

1 Replies

6260 Views

Last post by admin
Mon Jan 28, 2019 10:46 am
corrections to VASP manual and wiki k-point pages

Last post by ymantz « Fri Dec 07, 2018 12:00 am
Replies: 2
by ymantz » Thu Nov 15, 2018 11:48 pm

2 Replies

9294 Views

Last post by ymantz
Fri Dec 07, 2018 12:00 am
Units of EFIELD

Last post by merzuk.kaltak « Wed Nov 28, 2018 4:29 pm
Replies: 1
by rgarcia » Wed Nov 28, 2018 2:03 pm

1 Replies

10448 Views

Last post by merzuk.kaltak
Wed Nov 28, 2018 4:29 pm
The VCA in VASP.5.4

Last post by LIUXINGHUI « Wed Nov 28, 2018 2:47 am
Replies: 4
by LIUXINGHUI » Sat Nov 17, 2018 5:53 am

4 Replies

15064 Views

Last post by LIUXINGHUI
Wed Nov 28, 2018 2:47 am
memory corruption in DFPT calc with ISYM = -1, NPAR !=1

Last post by weixie4 « Mon Nov 12, 2018 8:31 pm
Replies: 3
by weixie4 » Mon Oct 29, 2018 6:59 pm

3 Replies

15974 Views

Last post by weixie4
Mon Nov 12, 2018 8:31 pm
the restart for the heavy job such as HSE+SOC and phonon

Last post by admin « Mon Oct 29, 2018 3:13 pm
Replies: 1
by LIUXINGHUI » Fri Oct 26, 2018 3:17 am

1 Replies

9992 Views

Last post by admin
Mon Oct 29, 2018 3:13 pm
Problem in KPOINTS

Last post by merzuk.kaltak « Fri Sep 28, 2018 1:26 pm
Replies: 1
by konda.physics@gmail.com » Thu Sep 27, 2018 12:39 pm

1 Replies

6188 Views

Last post by merzuk.kaltak
Fri Sep 28, 2018 1:26 pm
mBJ calculation is stuck

Last post by admin « Fri Sep 07, 2018 9:24 am
Replies: 1
by jcconesa » Sun Sep 02, 2018 4:21 pm

1 Replies

7835 Views

Last post by admin
Fri Sep 07, 2018 9:24 am
SCF loop diverging with Spin-orbit on

Last post by admin « Fri Sep 07, 2018 9:10 am
Replies: 1
by paulfons » Mon Aug 20, 2018 8:40 am

1 Replies

13519 Views

Last post by admin
Fri Sep 07, 2018 9:10 am

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