Messages by Thread
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[Wien] Fwd: Fw: Accommodation in Trieste, Italy - April 8 - 19, 2024 - ICTP, Kastler Lecture Hall
Peter Blaha
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[Wien] Columns in Help files
Guoping Zhang
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[Wien] NEC01 charge leakage too large + adding info
Changhoon Lee via Wien
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[Wien] [ERROR: NEC01 charge leakage too large]
Changhoon Lee via Wien
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[Wien] more than 999 inequivalent atoms in case.struct
Tomas Kana
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[Wien] Confusion regarding k points in GGA & subsequent HSE06 calculation
shamik chakrabarti
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[Wien] band gap for structure with a defect
Natalia Andreeva
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[Wien] Terminal closes automatically and the job terminates.
Pranjal Nandi
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[Wien] x nn (init_lapw)
Wien2k User
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[Wien] cif2struct
Burhan Ahmed
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[Wien] 27th WIEN2k workshop (first announcement)
Peter Blaha
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[Wien] issues with FSM for noncentrosymmetric materials.
Igor I Mazin
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[Wien] Problem with libiomp5.so and error messages that disappear and do not stop the calculation
Marco Polo Jimenez
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Re: [Wien] [WIEN2k BUG] lapw2_mpi crash with mbj, meta-GGAs (fix from mail-list hangs calculations)
Peter Blaha
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[Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?
shamik chakrabarti
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[Wien] Error while running SCF
Abhishek Bhattacharjee
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[Wien] Optimized lattice constants using pbe+U
Park, Ken
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Re: [Wien] calLa_Pre WIEN2k
morteza jamal via Wien
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[Wien] How to get "klist file" for orthorhombic P structure
Chang, Hong Young
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[Wien] slab calculation with lmbj potential
Burhan Ahmed
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[Wien] Speeding up calculations in parallel mose
Victor Zenou
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[Wien] Volume optimization and Eloss function.
Pranjal Nandi
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[Wien] SOC value \zeta
Samolyuk, German D. via Wien
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[Wien] Plotting the radial part of wave function
reyhaneh ebrahimi
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[Wien] error in doing bandstructure cal
Neetu Malik
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[Wien] Clean_lapw before increasing number of k points in HSE06 calculation
shamik chakrabarti
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[Wien] Exaggerated lattice parameter c in MoSe2 as obtained using rev-vdW-DF2
shamik chakrabarti
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[Wien] new tool for Transport with WIEN2k: LinReTraCe
Peter Blaha
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[Wien] Exc for Chalcogenides
shamik chakrabarti
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[Wien] Unable to finish init_lapw. X patchsymm is also not helping.
Pranjal Nandi
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[Wien] changed space group of doped supercell
Ashwani Kumar
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[Wien] Confirming Chern z2 topological invariants using BerryPhase
Burhan Ahmed
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[Wien] calculation with lmbj potential
Burhan Ahmed
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[Wien] lapw0.def failed
Brik Hamida
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[Wien] core states in spin-polarized calculations and the open-core method
Jindrich Kolorenc
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[Wien] some error occur during scf calculation
Rao Shruti Arya
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[Wien] System Error....Couldn't write to/.
karina Khan
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[Wien] GHOST BANDS error
Natalia Andreeva
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[Wien] xxmr2d:out of memory / estimate memory consumption
Ilias, Miroslav
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[Wien] WARNING elpa_setup during lapw1_mpi
Ilias Miroslav, doc. RNDr., PhD.
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[Wien] error in nlvdw
shamik chakrabarti
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[Wien] 323 atoms, no symmetry ... is it doable ?
Ilias Miroslav, doc. RNDr., PhD.
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[Wien] Fwd: x spaghetti error
karina Khan
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[Wien] hf error -monolayer
Brik Hamida