Re: [Wien] mBj error

2015-02-06 Thread Gavin Abo
In the WIEN2k directory SRC_lapw0, there should be a file called lapw0.F. You have to open the file in a text editor. Then, you need to find line 1831, which should have on that line: READ(11,'(1X,,I10)') NKKSP You need to replace (1X,,I10) with (9X,I10) in that

[Wien] mBj error

2015-02-05 Thread bayarr temuujin
Dear Wien2k users, I am using Wien2k version 13.1. I followed all the steps in userguide but i am getting error: hup: Command not found. STOP LAPW0 END At line 1831 of file lapw0.F (unit = 11, file = 'TiO2_rutile_mBJ.r2v') Fortran runtime error: Constant string in input format (1X,

[Wien] mBj error

2015-02-05 Thread bayarr temuujin
Dear Wien2k users, I am using Wien2k version 13.1. I followed all the steps in userguide but i am getting error: hup: Command not found. STOP LAPW0 END At line 1831 of file lapw0.F (unit = 11, file = 'TiO2_rutile_mBJ.r2v') Fortran runtime error: Constant string in input format (1X,,I10)

Re: [Wien] mBJ error

2013-12-07 Thread pavel.ondracka
. Best regards Pavel -- Původní zpráva -- Od: berber mo Datum: 6. 12. 2013 Předmět: [Wien] mBJ error Dear all I install the latest version of WIEN2k (13.1) I followed all the steps (MBJ) mentioned in userguide.. I chose the GaAs structure as an example but in the last step I have

Re: [Wien] mBJ error

2013-12-07 Thread Peter Blaha
replace it by (9X,I10) Am 06.12.2013 21:38, schrieb berber mo: Dear all I install the latest version of WIEN2k (13.1) I followed all the steps (MBJ) mentioned in userguide.. I chose the GaAs structure as an example but in the last step I have the following error: GaAs$ run_lapw -i 80 hup:

[Wien] mBJ error

2013-12-06 Thread berber mo
Dear all I install the latest version of WIEN2k (13.1) I followed all the steps (MBJ) mentioned in userguide.. I chose the GaAs structure as an example but in the last step I have the following error: GaAs$ run_lapw -i 80 hup: Command not found. STOP  LAPW0 END At line 1831 of file lapw0.F (unit

[Wien] mbj error

2013-08-01 Thread mourad boujnah
Dear Wien2k Users, I am using Wien2k 13 version and i am performing mBj calculations. In the firt step when I give the command run_lapw -i 1 -NI The following error appeared. oujnah@boujnah:~/WIEN2k/Boujnah/TM-ZrO2/Ferro-dos/ZrO2-Fe$ run_lapw -i 1 -NI hup: Command not found. LAPW0 END LAPW1 -

Re: [Wien] mbj error

2013-08-01 Thread Tomas Kana
erase everything except struct file  and initialize again and then run runsp_lapw Tomas  -- Původní zpráva -- Od: mourad boujnah boujnah.mou...@gmail.com Datum: 1. 8. 2013 Předmět: [Wien] mbj error Dear Wien2k Users,  I am using Wien2k 13 version and i am performing mBj

Re: [Wien] mbj error

2013-08-01 Thread mourad boujnah
the cause of your problem, I would erase everything except struct file and initialize again and then run runsp_lapw Tomas -- Původní zpráva -- Od: mourad boujnah boujnah.mou...@gmail.com Datum: 1. 8. 2013 Předmět: [Wien] mbj error Dear Wien2k Users, I am using Wien2k 13

Re: [Wien] mbj error

2013-08-01 Thread McDermott Eamon John Gordon
: 1. 8. 2013 Předmět: [Wien] mbj error Dear Wien2k Users, I am using Wien2k 13 version and i am performing mBj calculations. In the firt step when I give the command run_lapw -i 1 -NI The following error appeared. oujnah@boujnah:~/WIEN2k/Boujnah/TM-ZrO2/Ferro-dos/ZrO2-Fe$ run_lapw -i 1 -NI hup