Using VASP

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Default atomic masses and their rationale

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by agtonner » Fri Feb 22, 2019 3:55 pm

1 Replies

1808 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
Phase in PROCAR (LORBIT=2 or 12~14) with SOC

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 2
by leedairo2 » Sun Nov 01, 2020 8:23 am

2 Replies

2380 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
augmentation charge CQIJ

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Mon Sep 07, 2020 9:06 am

1 Replies

1987 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
orbital magnetization

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Sat Jul 04, 2020 4:12 am

1 Replies

2816 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
how to keep the spin states during the relaxation

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by zongtan_fang1 » Fri Jun 05, 2020 4:21 pm

1 Replies

2506 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
How to apply strain on a two-dimensional sheet using VASP?

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by surinder » Tue May 26, 2020 6:53 am

1 Replies

2616 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
TDDFT for triplets

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Thu Apr 16, 2020 5:24 am

1 Replies

2322 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
VASP piezoelectric calculations

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by cazade » Mon Apr 13, 2020 5:55 pm

1 Replies

2520 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
How to select the KPOINT in BSEFATBAND file compatible with high symmetry loop in band structure?

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by longjun_xiang1 » Mon Mar 16, 2020 10:17 am

1 Replies

2451 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
test charge for electrostatic potential

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by vga_fh » Thu Mar 05, 2020 1:41 am

1 Replies

2376 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
adsorption energy is too high when using optb88 correction

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by weiwen_pu » Mon Feb 10, 2020 3:16 pm

1 Replies

2140 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
Colossal total drifts of values ~0.5 eV/A

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by vasilii » Fri Feb 07, 2020 1:16 pm

1 Replies

1955 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
SCALEE for thermodynamic integration

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by liang_yuan1 » Thu Jan 23, 2020 11:38 am

1 Replies

2289 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
how to obtain the matrix elements of Hamiltonian

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by siyuchen » Wed Jan 08, 2020 12:22 pm

1 Replies

1947 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
EIGENVECTORS in OUTCAR ibrion=5,6

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by ietxeba » Mon Dec 09, 2019 2:10 pm

1 Replies

2727 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
How to apply DLM (disordered local moment) approximation?

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by ldpanminghao » Mon Dec 02, 2019 5:01 am

1 Replies

2469 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
DOS dependence on cell size

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by morteza » Thu Nov 14, 2019 11:53 pm

1 Replies

1803 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
Why am getting error for the relaxation of H2 moelcule?

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by surinder » Thu Sep 12, 2019 9:56 am

1 Replies

1956 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
Trying to understand details of pseudopotential input files for atoms

Last post by support_vasp « Wed Sep 11, 2024 3:05 pm
Replies: 1
by kira_selby » Tue Mar 29, 2022 2:30 pm

1 Replies

2024 Views

Last post by support_vasp
Wed Sep 11, 2024 3:05 pm
How to break the limit of number of NKPT>NKDIM

Last post by support_vasp « Wed Sep 11, 2024 3:04 pm
Replies: 1
by ryohei_nishioka » Fri Nov 06, 2020 10:57 am

1 Replies

2563 Views

Last post by support_vasp
Wed Sep 11, 2024 3:04 pm

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