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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Convergence error for semiconductor

Last post by ben_howchen1 « Fri Jul 23, 2021 12:34 pm
Replies: 6
by ben_howchen1 » Wed Jun 16, 2021 12:30 pm

6 Replies

164 Views

Last post by ben_howchen1
Fri Jul 23, 2021 12:34 pm
Optical absorption spectra

Last post by madhu_menon2 « Thu Jul 22, 2021 7:24 pm
Replies: 4
by madhu_menon2 » Thu Jul 22, 2021 3:48 pm

4 Replies

13 Views

Last post by madhu_menon2
Thu Jul 22, 2021 7:24 pm
strange behavior of PAW double counting energy

Last post by yingma « Wed Jul 21, 2021 8:08 pm
Replies: 4
by yingma » Sat Jul 17, 2021 5:38 pm

4 Replies

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Last post by yingma
Wed Jul 21, 2021 8:08 pm
Differences in TOTEN and band gap depending on parallelisation flag

Last post by henrique_miranda « Wed Jul 21, 2021 11:36 am
Replies: 4
by sophie_weber » Sat Jul 17, 2021 11:32 am

4 Replies

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Last post by henrique_miranda
Wed Jul 21, 2021 11:36 am
K-Point Distance in P4VASP

Last post by henrique_miranda « Tue Jul 20, 2021 8:10 pm
Replies: 3
by rmz4ed » Mon Jul 19, 2021 1:04 pm

3 Replies

21 Views

Last post by henrique_miranda
Tue Jul 20, 2021 8:10 pm
Question about XAS calculation code in VASP6.1

Last post by zhaoru_sun1 « Tue Jul 20, 2021 6:01 am
Replies: 6
by zhaoru_sun1 » Mon Aug 03, 2020 6:44 am

6 Replies

519 Views

Last post by zhaoru_sun1
Tue Jul 20, 2021 6:01 am
fermi energy in band structure calculation

Last post by henrique_miranda « Mon Jul 19, 2021 2:27 pm
Replies: 3
by decai » Mon Dec 31, 2007 2:07 am

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5266 Views

Last post by henrique_miranda
Mon Jul 19, 2021 2:27 pm
DOS in non-collinear calculations using p4vasp

Last post by henrique_miranda « Thu Jul 15, 2021 6:38 am
Replies: 1
by purbajyoti_bhagowati1 » Mon Jul 12, 2021 3:02 pm

1 Replies

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Last post by henrique_miranda
Thu Jul 15, 2021 6:38 am
How to read wavefunction from WAVRCAR using python directly

Last post by Physics_cat « Fri Jul 09, 2021 2:55 am
Replies: 5
by Physics_cat » Tue Jun 29, 2021 6:41 am

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Last post by Physics_cat
Fri Jul 09, 2021 2:55 am
Wiki error: INCAR flag "NDAV" described in Wiki not anymore functional (now: "NRMM")

Last post by henrique_miranda « Thu Jul 08, 2021 9:18 am
Replies: 1
by juergen.furthmueller » Mon Jul 05, 2021 11:04 am

1 Replies

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Last post by henrique_miranda
Thu Jul 08, 2021 9:18 am
G=0 term in BSE kernel

Last post by xiaoming_wang « Wed Jul 07, 2021 3:22 pm
Replies: 2
by xiaoming_wang » Wed May 12, 2021 2:17 am

2 Replies

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Last post by xiaoming_wang
Wed Jul 07, 2021 3:22 pm
Weird energy jump in relaxation

Last post by MBaeker « Wed Jul 07, 2021 1:10 pm
Replies: 6
by MBaeker » Tue Jul 06, 2021 8:31 am

6 Replies

83 Views

Last post by MBaeker
Wed Jul 07, 2021 1:10 pm
The symmetry of dielectric tensor in XAS computation using vasp.6.2.1

Last post by ferenc_karsai « Wed Jul 07, 2021 5:46 am
Replies: 5
by zhaoru_sun1 » Tue Jun 08, 2021 5:23 pm

5 Replies

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Last post by ferenc_karsai
Wed Jul 07, 2021 5:46 am
Error EDDDAV: Call to ZHEGV failed. Returncode = 234 2 240

Last post by henrique_miranda « Tue Jul 06, 2021 4:33 pm
Replies: 1
by sohamr » Tue Jul 06, 2021 12:09 pm

1 Replies

37 Views

Last post by henrique_miranda
Tue Jul 06, 2021 4:33 pm
LOPTICS with HSE job teminated

Last post by henrique_miranda « Mon Jul 05, 2021 6:58 am
Replies: 1
by neha_kapila » Mon Jun 28, 2021 7:56 am

1 Replies

77 Views

Last post by henrique_miranda
Mon Jul 05, 2021 6:58 am
Segmentation Fault

Last post by henrique_miranda « Mon Jul 05, 2021 6:21 am
Replies: 1
by Fermi1976 » Sun Jul 04, 2021 9:07 am

1 Replies

40 Views

Last post by henrique_miranda
Mon Jul 05, 2021 6:21 am
KGAMMA=.False. not working correctly?

Last post by martin.schlipf « Wed Jun 30, 2021 6:47 am
Replies: 5
by MBaeker » Fri Jun 25, 2021 10:58 am

5 Replies

196 Views

Last post by martin.schlipf
Wed Jun 30, 2021 6:47 am
Noncollinear magnetism & RPA

Last post by rolando_saniz1 « Mon Jun 28, 2021 4:02 pm
Replies: 2
by rolando_saniz1 » Thu Jun 24, 2021 12:02 pm

2 Replies

96 Views

Last post by rolando_saniz1
Mon Jun 28, 2021 4:02 pm
The question about the chose of POTCAR

Last post by martin.schlipf « Mon Jun 28, 2021 12:44 pm
Replies: 1
by jun_liu » Sun Jun 27, 2021 6:14 am

1 Replies

110 Views

Last post by martin.schlipf
Mon Jun 28, 2021 12:44 pm

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