Using VASP

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regarding static dielectric constant

Last post by merzuk.kaltak « Tue Sep 01, 2020 7:50 am
Replies: 1
by sdeepmanav » Fri Aug 28, 2020 10:11 am

1 Replies

2323 Views

Last post by merzuk.kaltak
Tue Sep 01, 2020 7:50 am
how to combine PBE+U and GW approximation (G0W0)

Last post by merzuk.kaltak « Tue Aug 25, 2020 1:29 pm
Replies: 1
by alekos » Thu Sep 26, 2019 1:22 am

1 Replies

2828 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:29 pm
How can I get REAL DIELECTRIC FUNCTION with frequency(E(ev)) by 0.01ev step?

Last post by merzuk.kaltak « Tue Aug 25, 2020 1:19 pm
Replies: 1
by stshcs » Sat Dec 14, 2019 1:43 am

1 Replies

2646 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:19 pm
[Suggestion] Sign convention using LCALCPOL

Last post by merzuk.kaltak « Tue Aug 25, 2020 1:15 pm
Replies: 1
by chengcheng_xiao1 » Sun Jan 05, 2020 11:53 pm

1 Replies

2591 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:15 pm
Calculation of g(F) and g(S)

Last post by merzuk.kaltak « Tue Aug 25, 2020 10:23 am
Replies: 1
by egilsk » Wed Apr 15, 2020 1:53 pm

1 Replies

2946 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 10:23 am
Ionic Relaxation getting stuck in local minima

Last post by merzuk.kaltak « Tue Aug 25, 2020 10:22 am
Replies: 1
by heisen » Thu Apr 30, 2020 1:43 pm

1 Replies

2918 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 10:22 am
VASP Forces. How are they calculated? Where to look?

Last post by merzuk.kaltak « Tue Aug 25, 2020 10:17 am
Replies: 1
by vasilii » Thu May 07, 2020 11:14 pm

1 Replies

2896 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 10:17 am
The factors related to formation energy

Last post by merzuk.kaltak « Tue Aug 25, 2020 9:01 am
Replies: 1
by zhaoru_sun1 » Tue Aug 25, 2020 6:29 am

1 Replies

2144 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 9:01 am
spurious shifts in LOCPOT via LVHAR

Last post by taishan@mit.edu « Fri Aug 21, 2020 3:16 pm
Replies: 9
by taishan@mit.edu » Mon Aug 17, 2020 6:41 pm

9 Replies

5521 Views

Last post by taishan@mit.edu
Fri Aug 21, 2020 3:16 pm
the derivative of the cell-periodic part of the orbitals w.r.t. k

Last post by henrique_miranda « Fri Aug 21, 2020 9:23 am
Replies: 5
by xiaoming_wang » Tue Aug 04, 2020 6:52 pm

5 Replies

4369 Views

Last post by henrique_miranda
Fri Aug 21, 2020 9:23 am
Request for INCAR file

Last post by merzuk.kaltak « Fri Aug 21, 2020 8:31 am
Replies: 1
by subrata » Thu May 28, 2020 9:46 am

1 Replies

2652 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:31 am
Is the static dielectric tensor given in cartesian coordinates in real space?

Last post by merzuk.kaltak « Fri Aug 21, 2020 8:28 am
Replies: 1
by tomasz.w » Tue Jun 09, 2020 10:13 am

1 Replies

2793 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:28 am
Regarding dielectric constant

Last post by merzuk.kaltak « Fri Aug 21, 2020 8:17 am
Replies: 1
by sdeepmanav » Thu Aug 20, 2020 8:44 am

1 Replies

2372 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:17 am
Anomaly numbers of electron in DOSCAR

Last post by duccoi « Tue Aug 18, 2020 9:09 am
Replies: 2
by duccoi » Sun Aug 16, 2020 2:09 pm

2 Replies

3104 Views

Last post by duccoi
Tue Aug 18, 2020 9:09 am
Electron-phonon interactions in vasp6.1

Last post by zrqustc « Fri Aug 14, 2020 10:00 pm
Replies: 4
by zrqustc » Mon Aug 10, 2020 11:42 am

4 Replies

3616 Views

Last post by zrqustc
Fri Aug 14, 2020 10:00 pm
Band alignment for water splitting

Last post by henrique_miranda « Thu Aug 13, 2020 9:40 am
Replies: 3
by abdul_jaleel1 » Wed Aug 05, 2020 9:07 pm

3 Replies

3084 Views

Last post by henrique_miranda
Thu Aug 13, 2020 9:40 am
KPOINTS for RPA &DOS

Last post by henrique_miranda « Thu Aug 13, 2020 9:05 am
Replies: 1
by yukio_watanabe1 » Thu Aug 13, 2020 5:35 am

1 Replies

2293 Views

Last post by henrique_miranda
Thu Aug 13, 2020 9:05 am
TRSM method in calculation of formation energy in charged defect

Last post by henrique_miranda « Thu Aug 13, 2020 7:55 am
Replies: 1
by tug03990 » Thu Aug 06, 2020 7:03 pm

1 Replies

2316 Views

Last post by henrique_miranda
Thu Aug 13, 2020 7:55 am
pseudopotential generation package

Last post by ungur.liviu « Wed Aug 12, 2020 9:06 am
Replies: 2
by ungur.liviu » Wed Aug 05, 2020 1:05 pm

2 Replies

2922 Views

Last post by ungur.liviu
Wed Aug 12, 2020 9:06 am
VASPsol

Last post by henrique_miranda « Mon Aug 10, 2020 3:59 pm
Replies: 1
by KWH » Tue Jul 07, 2020 7:25 pm

1 Replies

4517 Views

Last post by henrique_miranda
Mon Aug 10, 2020 3:59 pm

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