July 2019 Archives by author

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Starting: Mon Jul 1 21:11:57 CEST 2019
Ending: Wed Jul 31 19:00:53 CEST 2019
Messages: 141

• [Wien] Start wien2k on MacBook pro 2019 mojave   Ekahana Sandy Adhitia (PSI)
• [Wien] boltztrap patches   Gavin Abo
• [Wien] Is there any automate infrastructure supporting WIEN2k?   Gavin Abo
• [Wien] lapw2c tries to read an anomalous amount of data   Gavin Abo
• [Wien] lapw2c tries to read an anomalous amount of data   Gavin Abo
• [Wien] FFTW compiling   Gavin Abo
• [Wien] lapw2c tries to read an anomalous amount of data   Gavin Abo
• [Wien] Query regarding running less cpu core than available in the machine   Gavin Abo
• [Wien] Hardware for Wien2k ver. 19   Gavin Abo
• [Wien] Carrier concentration in BoltzTrap   Gavin Abo
• [Wien] (no subject)   Gavin Abo
• [Wien] lapw2c tries to read an anomalous amount of data   Gavin Abo
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Kyohoon Ahn
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Kyohoon Ahn
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Kyohoon Ahn
• [Wien] core hole in high energy level   Peter Blaha
• [Wien] Is there any automate infrastructure supporting WIEN2k?   Peter Blaha
• [Wien] Potential bug with initso_lapw in version 18.2   Peter Blaha
• [Wien] Potential bug with initso_lapw in version 18.2   Peter Blaha
• [Wien] Query regarding running less cpu core than available in the machine   Peter Blaha
• [Wien] Query regarding running less cpu core than available in the machine   Peter Blaha
• [Wien] 3p or 4p PDOS for 3d transition metal   Peter Blaha
• [Wien] Where do one find spin orbit coupling contribution matrix   Peter Blaha
• [Wien] 1s core state energy level reversal   Peter Blaha
• [Wien] lapwdm error for non-magnetic calculation with SOC   Peter Blaha
• [Wien] init_lapw in batch mode   Peter Blaha
• [Wien] Wien2k workshop 2019, 13.-17.8.2019   Peter Blaha
• [Wien] Parallel run problems with version 19.1   Peter Blaha
• [Wien] Larger basis at higher energy scales   Peter Blaha
• [Wien] lapw2c tries to read an anomalous amount of data   Peter Blaha
• [Wien] electron occupancy in dmatup/dn   Peter Blaha
• [Wien] Slater TELNES/XAS method (or core hole) for magnetic atom   Peter Blaha
• [Wien] :WARN : bad integral E= (telnes3)   Peter Blaha
• [Wien] how to control occupancy matrix   Peter Blaha
• [Wien] Where do one find spin orbit coupling contribution matrix   Tuvshin D
• [Wien] Where do one find spin orbit coupling contribution matrix   Tuvshin D
• [Wien] init_lapw in batch mode   Georg Eickerling
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] case.inM file missing for mini in 19.1   Luc Fruchter
• [Wien] case.inM file missing for mini in 19.1   Luc Fruchter
• [Wien] case.inM file missing for mini in 19.1   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] apw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapw2c tries to read an anomalous amount of data   Luc Fruchter
• [Wien] lapwdm error for non-magnetic calculation with SOC   Md. Fhokrul Islam
• [Wien] lapwdm error for non-magnetic calculation with SOC   Md. Fhokrul Islam
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Md. Fhokrul Islam
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Md. Fhokrul Islam
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Md. Fhokrul Islam
• [Wien] Segmentation fault (core dumped) error in w2w with spin-orbit   Md. Fhokrul Islam
• [Wien] FFTW compiling   Riyajul Islam
• [Wien] FFTW compiling   Riyajul Islam
• [Wien] FFTW compiling   Riyajul Islam
• [Wien] Query about .machine file   Riyajul Islam
• [Wien] Hardware for Wien2k ver. 19   Kamil Klier
• [Wien] lapw2c tries to read an anomalous amount of data   Laurence Marks
• [Wien] Parallel run problems with version 19.1   Laurence Marks
• [Wien] case.inM file missing for mini in 19.1   Laurence Marks
• [Wien] case.inM file missing for mini in 19.1   Laurence Marks
• [Wien] case.inM file missing for mini in 19.1   Laurence Marks
• [Wien] lapw2c tries to read an anomalous amount of data   Laurence Marks
• [Wien] lapw2c tries to read an anomalous amount of data   Laurence Marks
• [Wien] lapw2c tries to read an anomalous amount of data   Laurence Marks
• [Wien] lapw2c tries to read an anomalous amount of data   Laurence Marks
• [Wien] electron occupancy in dmatup/dn   Laurence Marks
• [Wien] how to control occupancy matrix   Laurence Marks
• [Wien] Slater TELNES/XAS method (or core hole) for magnetic atom   Laurence Marks
• [Wien] :WARN : bad integral E= (telnes3)   Laurence Marks
• [Wien] :WARN : bad integral E= (telnes3)   Laurence Marks
• [Wien] Slater TELNES/XAS method (or core hole) for magnetic atom   Laurence Marks
• [Wien] Parallel run problems with version 19.1   Ricardo Moreira
• [Wien] Parallel run problems with version 19.1   Ricardo Moreira
• [Wien] Parallel run problems with version 19.1   Ricardo Moreira
• [Wien] Parallel run problems with version 19.1   Ricardo Moreira
• [Wien] Parallel run problems with version 19.1   Ricardo Moreira
• [Wien] Parallel run problems with version 19.1   Ricardo Moreira
• [Wien] gfortran compilation and run problems for 19.1   Mikhail Nestoklon
• [Wien] lapw2c tries to read an anomalous amount of data   Pavel Ondračka
• [Wien] FFTW compiling   Pavel Ondračka
• [Wien] 3p or 4p PDOS for 3d transition metal   Pavel Ondračka
• [Wien] lapw2c tries to read an anomalous amount of data   Pavel Ondračka
• [Wien] apw2c tries to read an anomalous amount of data   Pavel Ondračka
• [Wien] problem during thermal calculations   GM RAI
• [Wien] how to control occupancy matrix   Ranasinghe, Jayangani
• [Wien] how to control occupancy matrix   Ranasinghe, Jayangani
• [Wien] how to control occupancy matrix   Ranasinghe, Jayangani
• [Wien] how to control occupancy matrix   Ranasinghe, Jayangani
• [Wien] wien2wannier:wout file   BUSHRA SABIR
• [Wien] (no subject)   Aamir Shafique
• [Wien] wien2k error during initialization   Aamir Shafique
• [Wien] Regarding Relaxation Calculation in DFT+U   Shamim Sk
• [Wien] Is there any automate infrastructure supporting WIEN2k?   Michael Sluydts
• [Wien] Potential bug with initso_lapw in version 18.2   Huseyin Ucar
• [Wien] Larger basis at higher energy scales   Guoping Zhang
• [Wien] Larger basis at higher energy scales   Guoping Zhang
• [Wien] Query regarding running less cpu core than available in the machine   shamik chakrabarti
• [Wien] Query regarding running less cpu core than available in the machine   shamik chakrabarti
• [Wien] Query regarding running less cpu core than available in the machine   shamik chakrabarti
• [Wien] gmin and gmax in case.outputd   delamora
• [Wien] wien2k error during initialization   delamora
• [Wien] electron occupancy in dmatup/dn   prasad jayasena
• [Wien] electron occupancy in dmatup/dn   prasad jayasena
• [Wien] electron occupancy in dmatup/dn   prasad jayasena
• [Wien] electronoccupancy in dmatup/dn   prasad jayasena
• [Wien] Hardware for Wien2k ver. 19   kklier
• [Wien] IRELAST issue   Indranil mal
• [Wien] IRELAST issue   Indranil mal
• [Wien] Carrier concentration in BoltzTrap   mitra narimani
• [Wien] 3p or 4p PDOS for 3d transition metal   tran at theochem.tuwien.ac.at
• [Wien] 3p or 4p PDOS for 3d transition metal   tran at theochem.tuwien.ac.at
• [Wien] 1s core state energy level reversal   tran at theochem.tuwien.ac.at
• [Wien] gfortran compilation and run problems for 19.1   tran at theochem.tuwien.ac.at
• [Wien] Regarding Relaxation Calculation in DFT+U   tran at theochem.tuwien.ac.at
• [Wien] (no subject)   tran at theochem.tuwien.ac.at
• [Wien] Parallel run problems with version 19.1   tran at theochem.tuwien.ac.at
• [Wien] Parallel run problems with version 19.1   tran at theochem.tuwien.ac.at
• [Wien] Parallel run problems with version 19.1   tran at theochem.tuwien.ac.at
• [Wien] Parallel run problems with version 19.1   tran at theochem.tuwien.ac.at
• [Wien] Parallel run problems with version 19.1   tran at theochem.tuwien.ac.at
• [Wien] Parallel run problems with version 19.1   tran at theochem.tuwien.ac.at
• [Wien] how to control occupancy matrix   tran at theochem.tuwien.ac.at
• [Wien] electron occupancy in dmatup/dn   tran at theochem.tuwien.ac.at
• [Wien] boltztrap patches   usuf zai
• [Wien] 3p or 4p PDOS for 3d transition metal   杨柯
• [Wien] 3p or 4p PDOS for 3d transition metal   杨柯
• [Wien] 3p or 4p PDOS for 3d transition metal   杨柯
• [Wien] 3p or 4p PDOS for 3d transition metal   杨柯
• [Wien] 1s core state energy level reversal   杨柯
• [Wien] 1s core state energy level reversal   杨柯
• [Wien] 1s core state energy level reversal   杨柯
• [Wien] Is there any automate infrastructure supporting WIEN2k?   林敏
• [Wien] Discontinuity in electron density   西村 真一

Last message date: Wed Jul 31 19:00:53 CEST 2019
Archived on: Wed Jul 31 19:01:08 CEST 2019

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