Using VASP

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Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

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Keywords for LEXCH tag in POTCAR when use different functional

Last post by jingyun_ye4 « Tue Dec 07, 2021 2:36 pm
Replies: 4
by jingyun_ye4 » Tue Nov 16, 2021 2:34 am

4 Replies

589 Views

Last post by jingyun_ye4
Tue Dec 07, 2021 2:36 pm
changing the axis of the magnetic moment

Last post by henrique_miranda « Mon Dec 06, 2021 9:57 am
Replies: 1
by alpinnovianus » Fri Dec 03, 2021 6:01 am

1 Replies

96 Views

Last post by henrique_miranda
Mon Dec 06, 2021 9:57 am
Structure optimization with Landau's U correction

Last post by alex « Mon Dec 06, 2021 8:49 am
Replies: 2
by luigi_cavallo1 » Thu Dec 02, 2021 6:25 am

2 Replies

83 Views

Last post by alex
Mon Dec 06, 2021 8:49 am
ALGO=ALL gives eigenvalues with wrong ordering

Last post by henrique_miranda « Mon Dec 06, 2021 7:46 am
Replies: 4
by saeed_bahramy » Sun Nov 24, 2019 1:32 am

4 Replies

1063 Views

Last post by henrique_miranda
Mon Dec 06, 2021 7:46 am
calculation under direction-dependent stress

Last post by henrique_miranda « Mon Dec 06, 2021 7:31 am
Replies: 1
by jinlannie » Sun Dec 05, 2021 2:43 pm

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Last post by henrique_miranda
Mon Dec 06, 2021 7:31 am
Two runs gets significantly different energies with ISPIN = 1 and 2 with mag = 0

Last post by yhan_vasp « Sat Dec 04, 2021 9:36 am

by yhan_vasp » Sat Dec 04, 2021 9:36 am

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Last post by yhan_vasp
Sat Dec 04, 2021 9:36 am
scaLAPACK: Routine ZPOTRF ZTRTRI failed! 17 1 1

Last post by martin.schlipf « Fri Dec 03, 2021 7:44 am
Replies: 4
by tanay11 » Sun Oct 31, 2021 1:55 am

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Last post by martin.schlipf
Fri Dec 03, 2021 7:44 am
Problem during ion relaxation

Last post by pooja_gangare « Thu Dec 02, 2021 2:48 am
Replies: 2
by pooja_gangare » Mon Oct 11, 2021 9:42 am

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Last post by pooja_gangare
Thu Dec 02, 2021 2:48 am
ERROR FEXCP: supplied Exchange-correletion table is too small

Last post by henrique_miranda « Fri Nov 26, 2021 8:59 pm
Replies: 7
by musanna_galib » Mon Nov 22, 2021 1:58 am

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Last post by henrique_miranda
Fri Nov 26, 2021 8:59 pm
When will the MLFF function be open

Last post by martin.schlipf « Wed Nov 24, 2021 2:05 pm
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by weiyu_song1 » Tue Nov 09, 2021 6:34 am

3 Replies

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Last post by martin.schlipf
Wed Nov 24, 2021 2:05 pm
EDIFF can't be recognized

Last post by martin.schlipf « Tue Nov 23, 2021 7:16 am
Replies: 10
by gu301purdue » Thu Nov 04, 2021 1:47 am

10 Replies

1087 Views

Last post by martin.schlipf
Tue Nov 23, 2021 7:16 am
How to setup parallel calculations

Last post by martin.schlipf « Tue Nov 23, 2021 7:15 am
Replies: 1
by martin.schlipf » Tue Nov 23, 2021 7:06 am

1 Replies

194 Views

Last post by martin.schlipf
Tue Nov 23, 2021 7:15 am
PROOUT files with spin orbit interactions.

Last post by henrique_miranda « Fri Nov 19, 2021 1:51 pm
Replies: 3
by priyamahadevan » Wed Oct 06, 2021 12:48 pm

3 Replies

1092 Views

Last post by henrique_miranda
Fri Nov 19, 2021 1:51 pm
how to obtain rotationally invariant orbitals in PDOS projection

Last post by henrique_miranda « Fri Nov 19, 2021 1:31 pm
Replies: 5
by seungjae_kwak » Wed Apr 21, 2021 12:40 pm

5 Replies

726 Views

Last post by henrique_miranda
Fri Nov 19, 2021 1:31 pm
NPAR and the projected magnetizations

Last post by qian_liu1 « Fri Nov 19, 2021 12:25 pm
Replies: 4
by qian_liu1 » Mon Nov 15, 2021 2:05 am

4 Replies

911 Views

Last post by qian_liu1
Fri Nov 19, 2021 12:25 pm
Parallel Wannier Projections

Last post by henrique_miranda « Thu Nov 18, 2021 7:47 am
Replies: 19
by jbackman » Fri Feb 26, 2021 2:02 pm
1

2
19 Replies

3622 Views

Last post by henrique_miranda
Thu Nov 18, 2021 7:47 am
symmetry operators in OUTCAR

Last post by tug03990 « Tue Nov 16, 2021 3:32 am
Replies: 4
by tug03990 » Thu Nov 11, 2021 5:55 pm

4 Replies

669 Views

Last post by tug03990
Tue Nov 16, 2021 3:32 am
Is it possible to calculate Exc with a combination of functional in VASP

Last post by jingyun_ye4 « Tue Nov 16, 2021 2:10 am
Replies: 3
by jingyun_ye4 » Tue Oct 19, 2021 3:10 pm

3 Replies

1270 Views

Last post by jingyun_ye4
Tue Nov 16, 2021 2:10 am
band structure

Last post by henrique_miranda « Mon Nov 15, 2021 12:01 pm
Replies: 1
by celina_sikorska » Sun Nov 14, 2021 11:57 pm

1 Replies

457 Views

Last post by henrique_miranda
Mon Nov 15, 2021 12:01 pm

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