Using VASP

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Why am I getting substantially different energy values when

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by gcates » Tue May 28, 2019 6:26 pm

1 Replies

2072 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
AECCAR0 has NaN value during charge calculation

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by mdhossain » Sat May 25, 2019 10:12 pm

1 Replies

2542 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
Convergence criteria "EDIFFG" does not fulfill during relax

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by mdhossain » Thu May 23, 2019 12:53 am

1 Replies

2181 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
How to convert unit used in vasp to SI unit?

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by KurtG » Wed Apr 24, 2019 5:11 am

1 Replies

2253 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Is UNK file for Wannier90 All-electron wave functions?

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by nwan » Sun Mar 31, 2019 1:12 pm

1 Replies

2943 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
PARCHG with LSORBIT=.TRUE., seems not correct

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by cslin » Fri Mar 29, 2019 2:40 am

1 Replies

1925 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
CHG file format of LSORBIT

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by cslin » Fri Mar 29, 2019 2:22 am

1 Replies

1791 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Non-collinear spin calculations with LORBIT 2 or 12

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by uthpala » Tue Mar 26, 2019 5:29 pm

1 Replies

2109 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Wannier90 3.0

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by d.pshenay » Thu Mar 07, 2019 8:48 am

1 Replies

2296 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Multiple Walkers in Metadynamics

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by yogvjosh » Mon Mar 04, 2019 6:04 pm

1 Replies

2024 Views

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

1821 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

2403 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

2009 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

2836 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

2527 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

2643 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

2337 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

2538 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

2465 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

2402 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm

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